4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol

C28H43O3P — CID 143639288

IUPAC4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol
SMILESCC1CCC(C2CCC(/C=C/C3CCC(COc4ccc(O)c(P)c4O)CC3)CC2)CC1
InChIInChI=1S/C28H43O3P/c1-19-2-12-23(13-3-19)24-14-10-21(11-15-24)5-4-20-6-8-22(9-7-20)18-31-26-17-16-25(29)28(32)27(26)30/h4-5,16-17,19-24,29-30H,2-3,6-15,18,32H2,1H3/b5-4+
InChIKeyIGMOKLYGQQLESR-SNAWJCMRSA-N
MW458.62 g/mol
LogP6.97
Rot. Bonds6

About 4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol

4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol (PubChem CID 143639288) has the molecular formula C28H43O3P and a molecular weight of 458.62 g/mol. Its IUPAC name is 4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol
PubChem CID143639288
Molecular FormulaC28H43O3P
Molecular Weight458.62 g/mol
Exact Mass458.29
IUPAC Name4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol
SMILESCC1CCC(C2CCC(/C=C/C3CCC(COc4ccc(O)c(P)c4O)CC3)CC2)CC1
InChIInChI=1S/C28H43O3P/c1-19-2-12-23(13-3-19)24-14-10-21(11-15-24)5-4-20-6-8-22(9-7-20)18-31-26-17-16-25(29)28(32)27(26)30/h4-5,16-17,19-24,29-30H,2-3,6-15,18,32H2,1H3/b5-4+
InChIKeyIGMOKLYGQQLESR-SNAWJCMRSA-N
XLogP6.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.62
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol with MolForge

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Related Compounds

1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]methoxy]benzene
CID 139334314
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
3-fluoro-1-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]-4-[(4-methylcyclohexyl)methoxy]-2-(trifluoromethyl)benzene
CID 154547462
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
2-[4,7-bis[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,3-benzodithiol-2-ylidene]-3-oxopropanenitrile
CID 154935700
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-(4-prop-1-enylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 77440399
1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]-3-(trifluoromethyl)benzene
CID 154547449
2-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967247
2-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 77440385
6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5-[2-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene
CID 118444931
1-[2,3-difluoro-4-[[4-[4-(3-fluoroprop-1-enyl)cyclohexyl]cyclohexyl]methoxy]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 123582107
1-(bromomethyl)-4-cyclopentylcyclohexane;bis(1-[(4-cyclopentylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene);4-ethoxy-2,3-difluorophenol
CID 161097094

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol?
The IUPAC name of 4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol (CID 143639288) is 4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol.
What is the SMILES notation for 4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol?
The canonical SMILES for 4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol is CC1CCC(C2CCC(/C=C/C3CCC(COc4ccc(O)c(P)c4O)CC3)CC2)CC1.
What is the InChIKey of 4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol?
The InChIKey is IGMOKLYGQQLESR-SNAWJCMRSA-N. The full InChI is InChI=1S/C28H43O3P/c1-19-2-12-23(13-3-19)24-14-10-21(11-15-24)5-4-20-6-8-22(9-7-20)18-31-26-17-16-25(29)28(32)27(26)30/h4-5,16-17,19-24,29-30H,2-3,6-15,18,32H2,1H3/b5-4+.
What are the key properties of 4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol?
4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol has a molecular weight of 458.62 g/mol, XLogP of 6.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-2-phosphanylbenzene-1,3-diol is sourced from PubChem (CID 143639288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).