1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol

C17H26O2 — CID 116755787

IUPAC1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol
SMILESCOC1(C(O)CCc2ccccc2)CCCCCC1
InChIInChI=1S/C17H26O2/c1-19-17(13-7-2-3-8-14-17)16(18)12-11-15-9-5-4-6-10-15/h4-6,9-10,16,18H,2-3,7-8,11-14H2,1H3
InChIKeyAYCQGZCVPWGOKM-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.72
Rot. Bonds5

About 1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol

1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol (PubChem CID 116755787) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol
PubChem CID116755787
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol
SMILESCOC1(C(O)CCc2ccccc2)CCCCCC1
InChIInChI=1S/C17H26O2/c1-19-17(13-7-2-3-8-14-17)16(18)12-11-15-9-5-4-6-10-15/h4-6,9-10,16,18H,2-3,7-8,11-14H2,1H3
InChIKeyAYCQGZCVPWGOKM-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxycyclobutyl)-2-phenylethanol
CID 116710482
1-(1-hydroxy-3-phenylpropyl)cyclopentan-1-ol
CID 103448481
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
3-phenyl-1-(1-phenylcyclobutyl)propan-1-ol
CID 63078442
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
3-amino-1-(1-methoxycyclopentyl)propan-1-ol
CID 165445409
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine
CID 116767746
2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol
CID 116779685
1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116755920
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 116768960
1-(1-methoxycyclohexyl)-2-thiophen-2-ylethanol
CID 116753410

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol (CID 116755787) is 1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol is COC1(C(O)CCc2ccccc2)CCCCCC1.
What is the InChIKey of 1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol?
The InChIKey is AYCQGZCVPWGOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-19-17(13-7-2-3-8-14-17)16(18)12-11-15-9-5-4-6-10-15/h4-6,9-10,16,18H,2-3,7-8,11-14H2,1H3.
What are the key properties of 1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol?
1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 116755787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).