ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol

C34H47FO2 — CID 144566099

IUPACethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol
SMILESC=C(/C=C1/CC(C)C/C1=C/C)OCc1cc(-c2c(C)cc(CCCC(C)(C)O)cc2C)ccc1F.CC
InChIInChI=1S/C32H41FO2.C2H6/c1-8-26-14-21(2)15-28(26)18-24(5)35-20-29-19-27(11-12-30(29)33)31-22(3)16-25(17-23(31)4)10-9-13-32(6,7)34;1-2/h8,11-12,16-19,21,34H,5,9-10,13-15,20H2,1-4,6-7H3;1-2H3/b26-8-,28-18-;
InChIKeyAYVMFVHQYPNPMY-RZJZJOIFSA-N
MW506.75 g/mol
LogP9.56
Rot. Bonds9

About ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol

ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol (PubChem CID 144566099) has the molecular formula C34H47FO2 and a molecular weight of 506.75 g/mol. Its IUPAC name is ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol.

Molecular Properties

Compound Nameethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol
PubChem CID144566099
Molecular FormulaC34H47FO2
Molecular Weight506.75 g/mol
Exact Mass506.36
IUPAC Nameethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol
SMILESC=C(/C=C1/CC(C)C/C1=C/C)OCc1cc(-c2c(C)cc(CCCC(C)(C)O)cc2C)ccc1F.CC
InChIInChI=1S/C32H41FO2.C2H6/c1-8-26-14-21(2)15-28(26)18-24(5)35-20-29-19-27(11-12-30(29)33)31-22(3)16-25(17-23(31)4)10-9-13-32(6,7)34;1-2/h8,11-12,16-19,21,34H,5,9-10,13-15,20H2,1-4,6-7H3;1-2H3/b26-8-,28-18-;
InChIKeyAYVMFVHQYPNPMY-RZJZJOIFSA-N
XLogP9.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.75
LogP ≤ 59.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol with MolForge

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Related Compounds

8-[[2-fluoro-5-[4-(4-hydroxy-4-methylpentyl)-2,6-dimethylphenyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),2,6,8-tetraene-3-carboxylic acid
CID 123477338
(2S,3S,4R)-8-[[2-fluoro-5-[4-(4-hydroxy-4-methylpentyl)-2,6-dimethylphenyl]phenyl]methoxy]-7-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid
CID 155148994
5-(4-bromo-3,5-dimethylphenyl)-2-methylpentan-2-ol;(2S,3S,4R)-8-[[2-fluoro-5-[4-(4-hydroxy-4-methylpentyl)-2,6-dimethylphenyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid
CID 159018805
4-[4-[3-[(3-ethyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylbutan-2-ol
CID 123915088
2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene
CID 59931486
4-[4-[2,4-difluoro-5-[(6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylbutane-1,2-diol
CID 134387716
4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol
CID 82471705
trans-(1S,2S)-2-[5-[[2-fluoro-5-[4-(2-hydroxy-2-methylpropoxy)-2,6-dimethylphenyl]phenyl]methylamino]-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 156596038
4-[2-(3,4-difluorophenyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]-2-methylbutan-2-ol
CID 123469345
5-[7-[3,5-dimethyl-4-[4-(trifluoromethoxy)phenyl]phenyl]heptyl]-1,3-dimethyl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 144502444
5-(3,4-difluorophenyl)-2-methylpentan-2-amine
CID 116925212
[5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine
CID 82822985

Frequently Asked Questions

What is the IUPAC name of ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol?
The IUPAC name of ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol (CID 144566099) is ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol.
What is the SMILES notation for ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol?
The canonical SMILES for ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol is C=C(/C=C1/CC(C)C/C1=C/C)OCc1cc(-c2c(C)cc(CCCC(C)(C)O)cc2C)ccc1F.CC.
What is the InChIKey of ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol?
The InChIKey is AYVMFVHQYPNPMY-RZJZJOIFSA-N. The full InChI is InChI=1S/C32H41FO2.C2H6/c1-8-26-14-21(2)15-28(26)18-24(5)35-20-29-19-27(11-12-30(29)33)31-22(3)16-25(17-23(31)4)10-9-13-32(6,7)34;1-2/h8,11-12,16-19,21,34H,5,9-10,13-15,20H2,1-4,6-7H3;1-2H3/b26-8-,28-18-;.
What are the key properties of ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol?
ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol has a molecular weight of 506.75 g/mol, XLogP of 9.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[4-[3-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-4-fluorophenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol is sourced from PubChem (CID 144566099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).