[1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol

C22H25FO2 — CID 156775293

IUPAC[1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol
SMILESC=Cc1c(F)cccc1C1(CO)CCCC(OCc2ccccc2)C1
InChIInChI=1S/C22H25FO2/c1-2-19-20(11-6-12-21(19)23)22(16-24)13-7-10-18(14-22)25-15-17-8-4-3-5-9-17/h2-6,8-9,11-12,18,24H,1,7,10,13-16H2
InChIKeyNDLBYPFALWNTIK-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.86
Rot. Bonds6

About [1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol

[1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol (PubChem CID 156775293) has the molecular formula C22H25FO2 and a molecular weight of 340.44 g/mol. Its IUPAC name is [1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol
PubChem CID156775293
Molecular FormulaC22H25FO2
Molecular Weight340.44 g/mol
Exact Mass340.18
IUPAC Name[1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol
SMILESC=Cc1c(F)cccc1C1(CO)CCCC(OCc2ccccc2)C1
InChIInChI=1S/C22H25FO2/c1-2-19-20(11-6-12-21(19)23)22(16-24)13-7-10-18(14-22)25-15-17-8-4-3-5-9-17/h2-6,8-9,11-12,18,24H,1,7,10,13-16H2
InChIKeyNDLBYPFALWNTIK-UHFFFAOYSA-N
XLogP4.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[1-(hydroxymethyl)-3-phenylmethoxycyclohexyl]phenyl]methanol
CID 156775326
5-fluoro-3'-phenylmethoxyspiro[1,3-dihydroisochromene-4,1'-cyclohexane]
CID 156775416
azane;cyclopentyloxymethylbenzene
CID 69411306
(3aR,6R,7aS)-7a-(2-fluorophenyl)-6-phenylmethoxy-3,3a,4,5,6,7-hexahydro-1H-2,1-benzoxazole
CID 67477921
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
CID 121282495
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
CID 18970180
3-(3-phenylmethoxycyclohexyl)propanoic acid
CID 115049002
3-[(1R,3S)-3-phenylmethoxycyclohexyl]oxypropane-1,2-diol
CID 59659244
1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol
CID 155130998
[(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol
CID 143834734

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol?
The IUPAC name of [1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol (CID 156775293) is [1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol.
What is the SMILES notation for [1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol?
The canonical SMILES for [1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol is C=Cc1c(F)cccc1C1(CO)CCCC(OCc2ccccc2)C1.
What is the InChIKey of [1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol?
The InChIKey is NDLBYPFALWNTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FO2/c1-2-19-20(11-6-12-21(19)23)22(16-24)13-7-10-18(14-22)25-15-17-8-4-3-5-9-17/h2-6,8-9,11-12,18,24H,1,7,10,13-16H2.
What are the key properties of [1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol?
[1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol has a molecular weight of 340.44 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethenyl-3-fluorophenyl)-3-phenylmethoxycyclohexyl]methanol is sourced from PubChem (CID 156775293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).