1-(4-butylphenyl)-2-phenylbutan-1-ol

C20H26O — CID 63427121

IUPAC1-(4-butylphenyl)-2-phenylbutan-1-ol
SMILESCCCCc1ccc(C(O)C(CC)c2ccccc2)cc1
InChIInChI=1S/C20H26O/c1-3-5-9-16-12-14-18(15-13-16)20(21)19(4-2)17-10-7-6-8-11-17/h6-8,10-15,19-21H,3-5,9H2,1-2H3
InChIKeyQRSDLZLVFYMHIP-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.26
Rot. Bonds7

About 1-(4-butylphenyl)-2-phenylbutan-1-ol

1-(4-butylphenyl)-2-phenylbutan-1-ol (PubChem CID 63427121) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(4-butylphenyl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(4-butylphenyl)-2-phenylbutan-1-ol
PubChem CID63427121
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-(4-butylphenyl)-2-phenylbutan-1-ol
SMILESCCCCc1ccc(C(O)C(CC)c2ccccc2)cc1
InChIInChI=1S/C20H26O/c1-3-5-9-16-12-14-18(15-13-16)20(21)19(4-2)17-10-7-6-8-11-17/h6-8,10-15,19-21H,3-5,9H2,1-2H3
InChIKeyQRSDLZLVFYMHIP-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-methoxyethyl)phenyl]-2-phenylbutan-1-ol
CID 61099739
3-amino-1-(4-butylphenyl)propane-1,2-diol
CID 170828276
1-(4-butylphenyl)-3-chloropropane-1,2-diol
CID 171862284
2-bromo-2-(4-butylphenyl)acetic acid
CID 122539824
(1R,2R)-1,2-diphenylpentan-1-ol
CID 102474717
2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol
CID 112512257
2-[1-(4-butylphenyl)ethyl]phenol
CID 70581941
1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol
CID 55197519
butylbenzene;hydroxylamine
CID 175142403
1-(4-butylphenyl)butan-1-ol
CID 61088483
2-[[3-hydroxy-3-(4-nonylphenyl)propyl]amino]-1-phenylpropan-1-ol
CID 110177881
2-[[3-(4-dodecylphenyl)-3-hydroxypropyl]amino]-1-phenylpropan-1-ol
CID 110177895

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-2-phenylbutan-1-ol?
The IUPAC name of 1-(4-butylphenyl)-2-phenylbutan-1-ol (CID 63427121) is 1-(4-butylphenyl)-2-phenylbutan-1-ol.
What is the SMILES notation for 1-(4-butylphenyl)-2-phenylbutan-1-ol?
The canonical SMILES for 1-(4-butylphenyl)-2-phenylbutan-1-ol is CCCCc1ccc(C(O)C(CC)c2ccccc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-2-phenylbutan-1-ol?
The InChIKey is QRSDLZLVFYMHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-3-5-9-16-12-14-18(15-13-16)20(21)19(4-2)17-10-7-6-8-11-17/h6-8,10-15,19-21H,3-5,9H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-2-phenylbutan-1-ol?
1-(4-butylphenyl)-2-phenylbutan-1-ol has a molecular weight of 282.43 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-2-phenylbutan-1-ol is sourced from PubChem (CID 63427121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).