2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol

C19H30O2 — CID 82185858

IUPAC2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol
SMILESCCCCCCOc1ccc(CC2CCCCC2O)cc1
InChIInChI=1S/C19H30O2/c1-2-3-4-7-14-21-18-12-10-16(11-13-18)15-17-8-5-6-9-19(17)20/h10-13,17,19-20H,2-9,14-15H2,1H3
InChIKeyIJRPFPMVHATADK-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.74
Rot. Bonds8

About 2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol

2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol (PubChem CID 82185858) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol
PubChem CID82185858
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol
SMILESCCCCCCOc1ccc(CC2CCCCC2O)cc1
InChIInChI=1S/C19H30O2/c1-2-3-4-7-14-21-18-12-10-16(11-13-18)15-17-8-5-6-9-19(17)20/h10-13,17,19-20H,2-9,14-15H2,1H3
InChIKeyIJRPFPMVHATADK-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethoxyphenyl)methyl]cyclohexan-1-ol
CID 82185878
ethyl N-[2-[4-[[(1S,2R)-2-hydroxycyclohexyl]methyl]phenoxy]ethyl]carbamate
CID 10087425
2-[(4-pentoxyphenyl)methyl]cyclohexan-1-one
CID 82185917
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
cis-(1R,2S)-2-(octadecoxymethyl)cyclopentan-1-ol
CID 56971486
1-[3-(2-pentylcyclohexyl)propoxy]-4-propoxybenzene
CID 57258842
1-cyclohexyl-4-heptoxybenzene
CID 56628106
2-[(4-pentoxyphenyl)methyl]oxirane
CID 173250908
[(1R,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methyloxidanium
CID 163701678
[(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol
CID 71018256
(4-nonoxyphenyl)methyl carbamate
CID 154021041

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol (CID 82185858) is 2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol is CCCCCCOc1ccc(CC2CCCCC2O)cc1.
What is the InChIKey of 2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol?
The InChIKey is IJRPFPMVHATADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-2-3-4-7-14-21-18-12-10-16(11-13-18)15-17-8-5-6-9-19(17)20/h10-13,17,19-20H,2-9,14-15H2,1H3.
What are the key properties of 2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol?
2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 82185858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).