2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol

C10H14O — CID 13030528

IUPAC2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol
SMILESCC(C)(O)C1=CC2C=CC1C2
InChIInChI=1S/C10H14O/c1-10(2,11)9-6-7-3-4-8(9)5-7/h3-4,6-8,11H,5H2,1-2H3
InChIKeyXRGUWEYGMHSRDX-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.89
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol

2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol (PubChem CID 13030528) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol
PubChem CID13030528
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol
SMILESCC(C)(O)C1=CC2C=CC1C2
InChIInChI=1S/C10H14O/c1-10(2,11)9-6-7-3-4-8(9)5-7/h3-4,6-8,11H,5H2,1-2H3
InChIKeyXRGUWEYGMHSRDX-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11105550
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4R)-rel-
CID 122485
trans-1-Methyl-4-(1-methylvinyl)cyclohex-2-en-1-ol
CID 155626
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-
CID 12618691
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-
CID 122484
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-rel-
CID 111274
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis-
CID 526657
cis-p-Menth-2-en-1-ol
CID 5319367
1-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-
CID 86752
Zingiberenol
CID 13213649
1-Methyl-4-(propan-2-yl)cyclohex-2-ene-1,4-diol
CID 300085
p-Mentha-2,8-dien-1-ol, (Z)-
CID 5319363

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol (CID 13030528) is 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol is CC(C)(O)C1=CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol?
The InChIKey is XRGUWEYGMHSRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-10(2,11)9-6-7-3-4-8(9)5-7/h3-4,6-8,11H,5H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol?
2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol has a molecular weight of 150.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol is sourced from PubChem (CID 13030528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).