1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol

C17H26O2 — CID 65090264

IUPAC1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
SMILESCOc1ccccc1C1(O)CCCC(C(C)C)CC1
InChIInChI=1S/C17H26O2/c1-13(2)14-7-6-11-17(18,12-10-14)15-8-4-5-9-16(15)19-3/h4-5,8-9,13-14,18H,6-7,10-12H2,1-3H3
InChIKeyXPFITSGFWBMDEW-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.12
Rot. Bonds3

About 1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol

1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol (PubChem CID 65090264) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
PubChem CID65090264
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
SMILESCOc1ccccc1C1(O)CCCC(C(C)C)CC1
InChIInChI=1S/C17H26O2/c1-13(2)14-7-6-11-17(18,12-10-14)15-8-4-5-9-16(15)19-3/h4-5,8-9,13-14,18H,6-7,10-12H2,1-3H3
InChIKeyXPFITSGFWBMDEW-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 82805715
1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090612
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 107449859
1-(3-bromo-2-fluorophenyl)-4-propan-2-ylcycloheptan-1-ol
CID 106644452
1-(2,6-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 116809940
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449892
1-(2-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65017177
(3S)-3-(2-methoxyphenyl)thian-3-ol
CID 124510302
1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449740
1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63406978
3-(2-methoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171958442

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol?
The IUPAC name of 1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol (CID 65090264) is 1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol?
The canonical SMILES for 1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol is COc1ccccc1C1(O)CCCC(C(C)C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol?
The InChIKey is XPFITSGFWBMDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13(2)14-7-6-11-17(18,12-10-14)15-8-4-5-9-16(15)19-3/h4-5,8-9,13-14,18H,6-7,10-12H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol?
1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol is sourced from PubChem (CID 65090264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).