1-(2-oct-1-ynylphenyl)cyclopropan-1-ol

C17H22O — CID 15310774

IUPAC1-(2-oct-1-ynylphenyl)cyclopropan-1-ol
SMILESCCCCCCC#Cc1ccccc1C1(O)CC1
InChIInChI=1S/C17H22O/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)17(18)13-14-17/h8-9,11-12,18H,2-6,13-14H2,1H3
InChIKeyOVHOCDZMRBPLJI-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.99
Rot. Bonds5

About 1-(2-oct-1-ynylphenyl)cyclopropan-1-ol

1-(2-oct-1-ynylphenyl)cyclopropan-1-ol (PubChem CID 15310774) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-oct-1-ynylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2-oct-1-ynylphenyl)cyclopropan-1-ol
PubChem CID15310774
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-(2-oct-1-ynylphenyl)cyclopropan-1-ol
SMILESCCCCCCC#Cc1ccccc1C1(O)CC1
InChIInChI=1S/C17H22O/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)17(18)13-14-17/h8-9,11-12,18H,2-6,13-14H2,1H3
InChIKeyOVHOCDZMRBPLJI-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.99
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

1,2-bis(oct-1-ynyl)benzene
CID 11087701
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723
2-[2-(2-hept-1-ynylphenyl)ethynyl]benzonitrile
CID 11077353
4-(2-oct-1-ynylphenyl)but-1-yn-1-ol
CID 70446792
N-(2-oct-1-ynylphenyl)acetamide
CID 11658791
tridec-1-ynylbenzene
CID 19991064
3-(2-non-1-ynylphenyl)prop-2-enoic acid
CID 76841458
3-(2-oct-1-ynylphenyl)prop-2-enoic acid
CID 69252054
3-(2-dodec-1-ynylphenyl)propanoic acid
CID 151187733
1-isothiocyanato-2-oct-1-ynylbenzene
CID 102468421
1-dec-1-ynyl-2-isocyanatobenzene
CID 101208885
ethane;non-1-ynylbenzene
CID 143616673

Frequently Asked Questions

What is the IUPAC name of 1-(2-oct-1-ynylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(2-oct-1-ynylphenyl)cyclopropan-1-ol (CID 15310774) is 1-(2-oct-1-ynylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2-oct-1-ynylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(2-oct-1-ynylphenyl)cyclopropan-1-ol is CCCCCCC#Cc1ccccc1C1(O)CC1.
What is the InChIKey of 1-(2-oct-1-ynylphenyl)cyclopropan-1-ol?
The InChIKey is OVHOCDZMRBPLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)17(18)13-14-17/h8-9,11-12,18H,2-6,13-14H2,1H3.
What are the key properties of 1-(2-oct-1-ynylphenyl)cyclopropan-1-ol?
1-(2-oct-1-ynylphenyl)cyclopropan-1-ol has a molecular weight of 242.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oct-1-ynylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 15310774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).