2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol

C18H26O — CID 79550468

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CC(CO)CC2CC3CCC2C3)cc1
InChIInChI=1S/C18H26O/c1-13-2-4-14(5-3-13)8-16(12-19)11-18-10-15-6-7-17(18)9-15/h2-5,15-19H,6-12H2,1H3
InChIKeyUGNIOSCPFMMRPS-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.97
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol

2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 79550468) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol
PubChem CID79550468
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CC(CO)CC2CC3CCC2C3)cc1
InChIInChI=1S/C18H26O/c1-13-2-4-14(5-3-13)8-16(12-19)11-18-10-15-6-7-17(18)9-15/h2-5,15-19H,6-12H2,1H3
InChIKeyUGNIOSCPFMMRPS-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol (CID 79550468) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol is Cc1ccc(CC(CO)CC2CC3CCC2C3)cc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is UGNIOSCPFMMRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-13-2-4-14(5-3-13)8-16(12-19)11-18-10-15-6-7-17(18)9-15/h2-5,15-19H,6-12H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol?
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 258.40 g/mol, XLogP of 3.97, 5 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]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 79550468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).