1-(5-phenylpent-1-ynyl)cyclohexan-1-ol

C17H22O — CID 24938297

IUPAC1-(5-phenylpent-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CCCCc2ccccc2)CCCCC1
InChIInChI=1S/C17H22O/c18-17(14-8-3-9-15-17)13-7-2-6-12-16-10-4-1-5-11-16/h1,4-5,10-11,18H,2-3,6,8-9,12,14-15H2
InChIKeyCVNLETSCORHXMC-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.71
Rot. Bonds3

About 1-(5-phenylpent-1-ynyl)cyclohexan-1-ol

1-(5-phenylpent-1-ynyl)cyclohexan-1-ol (PubChem CID 24938297) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(5-phenylpent-1-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-phenylpent-1-ynyl)cyclohexan-1-ol
PubChem CID24938297
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-(5-phenylpent-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CCCCc2ccccc2)CCCCC1
InChIInChI=1S/C17H22O/c18-17(14-8-3-9-15-17)13-7-2-6-12-16-10-4-1-5-11-16/h1,4-5,10-11,18H,2-3,6,8-9,12,14-15H2
InChIKeyCVNLETSCORHXMC-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-phenylpropylamino)cyclohexan-1-ol
CID 141002398
(3S)-2-methyl-8-phenyloct-4-yn-3-ol
CID 11991329
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
8-iodooct-4-ynylbenzene
CID 139920502
N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide
CID 111332854
1-[2-(4-butylphenyl)ethynyl]cyclopentan-1-ol
CID 146002790
1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol
CID 56984484
2-(3-phenylpropyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 65146680
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
6,6-dichlorohex-4-ynylbenzene
CID 164665221
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylpent-1-ynyl)cyclohexan-1-ol?
The IUPAC name of 1-(5-phenylpent-1-ynyl)cyclohexan-1-ol (CID 24938297) is 1-(5-phenylpent-1-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(5-phenylpent-1-ynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(5-phenylpent-1-ynyl)cyclohexan-1-ol is OC1(C#CCCCc2ccccc2)CCCCC1.
What is the InChIKey of 1-(5-phenylpent-1-ynyl)cyclohexan-1-ol?
The InChIKey is CVNLETSCORHXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c18-17(14-8-3-9-15-17)13-7-2-6-12-16-10-4-1-5-11-16/h1,4-5,10-11,18H,2-3,6,8-9,12,14-15H2.
What are the key properties of 1-(5-phenylpent-1-ynyl)cyclohexan-1-ol?
1-(5-phenylpent-1-ynyl)cyclohexan-1-ol has a molecular weight of 242.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylpent-1-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 24938297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).