2-(3-cyclobutylphenyl)cycloheptan-1-ol

C17H24O — CID 114605746

IUPAC2-(3-cyclobutylphenyl)cycloheptan-1-ol
SMILESOC1CCCCCC1c1cccc(C2CCC2)c1
InChIInChI=1S/C17H24O/c18-17-11-3-1-2-10-16(17)15-9-5-8-14(12-15)13-6-4-7-13/h5,8-9,12-13,16-18H,1-4,6-7,10-11H2
InChIKeyIIPLKSMPOWGMAC-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.36
Rot. Bonds2

About 2-(3-cyclobutylphenyl)cycloheptan-1-ol

2-(3-cyclobutylphenyl)cycloheptan-1-ol (PubChem CID 114605746) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(3-cyclobutylphenyl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(3-cyclobutylphenyl)cycloheptan-1-ol
PubChem CID114605746
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name2-(3-cyclobutylphenyl)cycloheptan-1-ol
SMILESOC1CCCCCC1c1cccc(C2CCC2)c1
InChIInChI=1S/C17H24O/c18-17-11-3-1-2-10-16(17)15-9-5-8-14(12-15)13-6-4-7-13/h5,8-9,12-13,16-18H,1-4,6-7,10-11H2
InChIKeyIIPLKSMPOWGMAC-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(1R)-2-(3-bromophenyl)cyclopentan-1-ol
CID 172622901
cis-(1R,2R)-2-(3-fluorophenyl)cyclopentan-1-ol
CID 26594918
trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
CID 36688903
2-(3-chlorophenyl)cyclohexan-1-ol
CID 14382197
3-cyclohexylphenol
CID 16036
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3-cycloheptylaniline
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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutylphenyl)cycloheptan-1-ol?
The IUPAC name of 2-(3-cyclobutylphenyl)cycloheptan-1-ol (CID 114605746) is 2-(3-cyclobutylphenyl)cycloheptan-1-ol.
What is the SMILES notation for 2-(3-cyclobutylphenyl)cycloheptan-1-ol?
The canonical SMILES for 2-(3-cyclobutylphenyl)cycloheptan-1-ol is OC1CCCCCC1c1cccc(C2CCC2)c1.
What is the InChIKey of 2-(3-cyclobutylphenyl)cycloheptan-1-ol?
The InChIKey is IIPLKSMPOWGMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c18-17-11-3-1-2-10-16(17)15-9-5-8-14(12-15)13-6-4-7-13/h5,8-9,12-13,16-18H,1-4,6-7,10-11H2.
What are the key properties of 2-(3-cyclobutylphenyl)cycloheptan-1-ol?
2-(3-cyclobutylphenyl)cycloheptan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutylphenyl)cycloheptan-1-ol is sourced from PubChem (CID 114605746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).