2-[1-(4-butylphenyl)ethyl]phenol

C18H22O — CID 70581941

IUPAC2-[1-(4-butylphenyl)ethyl]phenol
SMILESCCCCc1ccc(C(C)c2ccccc2O)cc1
InChIInChI=1S/C18H22O/c1-3-4-7-15-10-12-16(13-11-15)14(2)17-8-5-6-9-18(17)19/h5-6,8-14,19H,3-4,7H2,1-2H3
InChIKeyBPTOIHLQMVYBCC-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.89
Rot. Bonds5

About 2-[1-(4-butylphenyl)ethyl]phenol

2-[1-(4-butylphenyl)ethyl]phenol (PubChem CID 70581941) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[1-(4-butylphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(4-butylphenyl)ethyl]phenol
PubChem CID70581941
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-[1-(4-butylphenyl)ethyl]phenol
SMILESCCCCc1ccc(C(C)c2ccccc2O)cc1
InChIInChI=1S/C18H22O/c1-3-4-7-15-10-12-16(13-11-15)14(2)17-8-5-6-9-18(17)19/h5-6,8-14,19H,3-4,7H2,1-2H3
InChIKeyBPTOIHLQMVYBCC-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-icosyl-2,6-bis(1-phenylethyl)phenol
CID 70441667
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-(4-butylphenyl)-2-phenylbutan-1-ol
CID 63427121
1-butyl-4-ethylbenzene;ethane;1-ethyl-4-propan-2-ylbenzene;methane
CID 176687496
1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
CID 176687461
1-[bromo-(4-butylphenyl)methyl]-2-iodobenzene
CID 63440010
1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 43484310
1-[bromo-(4-butylphenyl)methyl]-2-methoxybenzene
CID 63440181
1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol
CID 158673942
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol
CID 43684152
bis(4-butylphenyl)methylphosphane
CID 90110025

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-butylphenyl)ethyl]phenol?
The IUPAC name of 2-[1-(4-butylphenyl)ethyl]phenol (CID 70581941) is 2-[1-(4-butylphenyl)ethyl]phenol.
What is the SMILES notation for 2-[1-(4-butylphenyl)ethyl]phenol?
The canonical SMILES for 2-[1-(4-butylphenyl)ethyl]phenol is CCCCc1ccc(C(C)c2ccccc2O)cc1.
What is the InChIKey of 2-[1-(4-butylphenyl)ethyl]phenol?
The InChIKey is BPTOIHLQMVYBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-3-4-7-15-10-12-16(13-11-15)14(2)17-8-5-6-9-18(17)19/h5-6,8-14,19H,3-4,7H2,1-2H3.
What are the key properties of 2-[1-(4-butylphenyl)ethyl]phenol?
2-[1-(4-butylphenyl)ethyl]phenol has a molecular weight of 254.37 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-butylphenyl)ethyl]phenol is sourced from PubChem (CID 70581941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).