1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol

C19H30O2 — CID 67706631

IUPAC1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol
SMILESCCCCC(O)C1(COCc2ccccc2)CCCCC1
InChIInChI=1S/C19H30O2/c1-2-3-12-18(20)19(13-8-5-9-14-19)16-21-15-17-10-6-4-7-11-17/h4,6-7,10-11,18,20H,2-3,5,8-9,12-16H2,1H3
InChIKeyFMDBXRDPMYTUQL-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.70
Rot. Bonds8

About 1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol

1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol (PubChem CID 67706631) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol.

Molecular Properties

Compound Name1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol
PubChem CID67706631
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol
SMILESCCCCC(O)C1(COCc2ccccc2)CCCCC1
InChIInChI=1S/C19H30O2/c1-2-3-12-18(20)19(13-8-5-9-14-19)16-21-15-17-10-6-4-7-11-17/h4,6-7,10-11,18,20H,2-3,5,8-9,12-16H2,1H3
InChIKeyFMDBXRDPMYTUQL-UHFFFAOYSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylcyclohexyl)pentan-1-ol
CID 55187170
benzyl 2-butylhexanoate
CID 175287311
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
4-(1-hydroxy-2-phenylmethoxyethyl)-4-propyloxolane-2,2-diol
CID 91575534
N-(2-methylpropyl)-1-(phenylmethoxymethyl)cyclohexane-1-carboxamide
CID 146227837
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
N-methyl-1-[1-(phenylmethoxymethyl)cyclopentyl]methanamine
CID 102940486
benzyl 2-decyldodecanoate
CID 129279401
(2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane
CID 15293543
4-phenylmethoxycarbonyloctanoic acid
CID 68803226
2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine
CID 102940491

Frequently Asked Questions

What is the IUPAC name of 1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol?
The IUPAC name of 1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol (CID 67706631) is 1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol.
What is the SMILES notation for 1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol?
The canonical SMILES for 1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol is CCCCC(O)C1(COCc2ccccc2)CCCCC1.
What is the InChIKey of 1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol?
The InChIKey is FMDBXRDPMYTUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-2-3-12-18(20)19(13-8-5-9-14-19)16-21-15-17-10-6-4-7-11-17/h4,6-7,10-11,18,20H,2-3,5,8-9,12-16H2,1H3.
What are the key properties of 1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol?
1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(phenylmethoxymethyl)cyclohexyl]pentan-1-ol is sourced from PubChem (CID 67706631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).