1,4-bis(4-methylphenyl)butan-2-ol

C18H22O — CID 63016226

IUPAC1,4-bis(4-methylphenyl)butan-2-ol
SMILESCc1ccc(CCC(O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22O/c1-14-3-7-16(8-4-14)11-12-18(19)13-17-9-5-15(2)6-10-17/h3-10,18-19H,11-13H2,1-2H3
InChIKeyFQMXHJLRJVPXSJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.84
Rot. Bonds5

About 1,4-bis(4-methylphenyl)butan-2-ol

1,4-bis(4-methylphenyl)butan-2-ol (PubChem CID 63016226) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1,4-bis(4-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1,4-bis(4-methylphenyl)butan-2-ol
PubChem CID63016226
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1,4-bis(4-methylphenyl)butan-2-ol
SMILESCc1ccc(CCC(O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22O/c1-14-3-7-16(8-4-14)11-12-18(19)13-17-9-5-15(2)6-10-17/h3-10,18-19H,11-13H2,1-2H3
InChIKeyFQMXHJLRJVPXSJ-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-5-phenylpentan-2-ol
CID 62606393
4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol
CID 66690172
[4-[2-hydroxy-4-[4-(trimethylazaniumyl)phenyl]butyl]phenyl]-trimethylazanium
CID 24833518
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol
CID 105084500
1-(4-methylphenyl)octan-2-ol
CID 62607878
5-ethyl-1-(4-methylphenyl)heptan-3-ol
CID 105122523
3-hydroxy-5-(4-methylphenyl)pentanenitrile
CID 82075409
1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
CID 105115083
1-(4-methylphenyl)dodecan-3-ol
CID 105084894
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenyl)butan-2-ol?
The IUPAC name of 1,4-bis(4-methylphenyl)butan-2-ol (CID 63016226) is 1,4-bis(4-methylphenyl)butan-2-ol.
What is the SMILES notation for 1,4-bis(4-methylphenyl)butan-2-ol?
The canonical SMILES for 1,4-bis(4-methylphenyl)butan-2-ol is Cc1ccc(CCC(O)Cc2ccc(C)cc2)cc1.
What is the InChIKey of 1,4-bis(4-methylphenyl)butan-2-ol?
The InChIKey is FQMXHJLRJVPXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-14-3-7-16(8-4-14)11-12-18(19)13-17-9-5-15(2)6-10-17/h3-10,18-19H,11-13H2,1-2H3.
What are the key properties of 1,4-bis(4-methylphenyl)butan-2-ol?
1,4-bis(4-methylphenyl)butan-2-ol has a molecular weight of 254.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylphenyl)butan-2-ol is sourced from PubChem (CID 63016226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).