1,5-bis(4-methylphenyl)pentan-3-ol

C19H24O — CID 171349365

IUPAC1,5-bis(4-methylphenyl)pentan-3-ol
SMILESCc1ccc(CCC(O)CCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24O/c1-15-3-7-17(8-4-15)11-13-19(20)14-12-18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3
InChIKeyCATOJAGMUPJERN-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.23
Rot. Bonds6

About 1,5-bis(4-methylphenyl)pentan-3-ol

1,5-bis(4-methylphenyl)pentan-3-ol (PubChem CID 171349365) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1,5-bis(4-methylphenyl)pentan-3-ol.

Molecular Properties

Compound Name1,5-bis(4-methylphenyl)pentan-3-ol
PubChem CID171349365
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1,5-bis(4-methylphenyl)pentan-3-ol
SMILESCc1ccc(CCC(O)CCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24O/c1-15-3-7-17(8-4-15)11-13-19(20)14-12-18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3
InChIKeyCATOJAGMUPJERN-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-methylphenyl)pentan-3-ol?
The IUPAC name of 1,5-bis(4-methylphenyl)pentan-3-ol (CID 171349365) is 1,5-bis(4-methylphenyl)pentan-3-ol.
What is the SMILES notation for 1,5-bis(4-methylphenyl)pentan-3-ol?
The canonical SMILES for 1,5-bis(4-methylphenyl)pentan-3-ol is Cc1ccc(CCC(O)CCc2ccc(C)cc2)cc1.
What is the InChIKey of 1,5-bis(4-methylphenyl)pentan-3-ol?
The InChIKey is CATOJAGMUPJERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-15-3-7-17(8-4-15)11-13-19(20)14-12-18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3.
What are the key properties of 1,5-bis(4-methylphenyl)pentan-3-ol?
1,5-bis(4-methylphenyl)pentan-3-ol has a molecular weight of 268.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-methylphenyl)pentan-3-ol is sourced from PubChem (CID 171349365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).