2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol

C17H26O2 — CID 114458561

IUPAC2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc(C(O)CC2CCCCCC2)cc1C
InChIInChI=1S/C17H26O2/c1-13-11-15(9-10-17(13)19-2)16(18)12-14-7-5-3-4-6-8-14/h9-11,14,16,18H,3-8,12H2,1-2H3
InChIKeyJGOVYWXSMCYZMA-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.40
Rot. Bonds4

About 2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol

2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol (PubChem CID 114458561) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol
PubChem CID114458561
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc(C(O)CC2CCCCCC2)cc1C
InChIInChI=1S/C17H26O2/c1-13-11-15(9-10-17(13)19-2)16(18)12-14-7-5-3-4-6-8-14/h9-11,14,16,18H,3-8,12H2,1-2H3
InChIKeyJGOVYWXSMCYZMA-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 55095037
1-(4-bromo-3-methylphenyl)-2-cyclohexylethanol
CID 81447995
1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
CID 107562179
[bromo-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020989
[chloro-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020691
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol
CID 96823282
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
(2-ethylcyclohexyl)-(4-methoxy-3-methylphenyl)methanol
CID 63893975
2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol
CID 103165429
1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol
CID 103159069
2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
CID 63426977

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol?
The IUPAC name of 2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol (CID 114458561) is 2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol.
What is the SMILES notation for 2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol?
The canonical SMILES for 2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol is COc1ccc(C(O)CC2CCCCCC2)cc1C.
What is the InChIKey of 2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol?
The InChIKey is JGOVYWXSMCYZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13-11-15(9-10-17(13)19-2)16(18)12-14-7-5-3-4-6-8-14/h9-11,14,16,18H,3-8,12H2,1-2H3.
What are the key properties of 2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol?
2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol has a molecular weight of 262.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol is sourced from PubChem (CID 114458561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).