1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol

C17H26O2 — CID 103452040

IUPAC1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol
SMILESCCCc1ccc(C(O)C2(O)CCCCCC2)cc1
InChIInChI=1S/C17H26O2/c1-2-7-14-8-10-15(11-9-14)16(18)17(19)12-5-3-4-6-13-17/h8-11,16,18-19H,2-7,12-13H2,1H3
InChIKeyGXIMNYJHXKXSDJ-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.76
Rot. Bonds4

About 1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol

1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol (PubChem CID 103452040) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol
PubChem CID103452040
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol
SMILESCCCc1ccc(C(O)C2(O)CCCCCC2)cc1
InChIInChI=1S/C17H26O2/c1-2-7-14-8-10-15(11-9-14)16(18)17(19)12-5-3-4-6-13-17/h8-11,16,18-19H,2-7,12-13H2,1H3
InChIKeyGXIMNYJHXKXSDJ-UHFFFAOYSA-N
XLogP3.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol
CID 59815118
1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122937
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
1-[amino-(4-propylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79067030
1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
CID 103451727
1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448377
1-[ethylamino-(4-propylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058158
(1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol
CID 116754992
[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965966
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-[(3,5-dimethylphenyl)-hydroxymethyl]cyclohexan-1-ol
CID 103451734
2-(1-methoxycyclobutyl)-1-(4-propylphenyl)ethanol
CID 103557531

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol (CID 103452040) is 1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol is CCCc1ccc(C(O)C2(O)CCCCCC2)cc1.
What is the InChIKey of 1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol?
The InChIKey is GXIMNYJHXKXSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-7-14-8-10-15(11-9-14)16(18)17(19)12-5-3-4-6-13-17/h8-11,16,18-19H,2-7,12-13H2,1H3.
What are the key properties of 1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol?
1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 103452040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).