[3-methyl-2-(4-phenylbutoxy)phenyl]methanol

C18H22O2 — CID 114333944

IUPAC[3-methyl-2-(4-phenylbutoxy)phenyl]methanol
SMILESCc1cccc(CO)c1OCCCCc1ccccc1
InChIInChI=1S/C18H22O2/c1-15-8-7-12-17(14-19)18(15)20-13-6-5-11-16-9-3-2-4-10-16/h2-4,7-10,12,19H,5-6,11,13-14H2,1H3
InChIKeySQCUWKOJHMJTDK-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.89
Rot. Bonds7

About [3-methyl-2-(4-phenylbutoxy)phenyl]methanol

[3-methyl-2-(4-phenylbutoxy)phenyl]methanol (PubChem CID 114333944) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is [3-methyl-2-(4-phenylbutoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-2-(4-phenylbutoxy)phenyl]methanol
PubChem CID114333944
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name[3-methyl-2-(4-phenylbutoxy)phenyl]methanol
SMILESCc1cccc(CO)c1OCCCCc1ccccc1
InChIInChI=1S/C18H22O2/c1-15-8-7-12-17(14-19)18(15)20-13-6-5-11-16-9-3-2-4-10-16/h2-4,7-10,12,19H,5-6,11,13-14H2,1H3
InChIKeySQCUWKOJHMJTDK-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-2-(4-phenylbutoxy)benzene
CID 114334885
1-(bromomethyl)-3-methyl-2-(4-phenylbutoxy)benzene
CID 114334011
(2-decoxy-3-methylphenyl)methanol
CID 115956202
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
CID 115958003
[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol
CID 112612503
[3-bromo-2-(2-phenylethoxy)phenyl]methanol
CID 61391567
[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
CID 112621072
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
CID 108881887
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
[7-(5-phenylpentyl)naphthalen-1-yl]methanol
CID 54267141
[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 112612262

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(4-phenylbutoxy)phenyl]methanol?
The IUPAC name of [3-methyl-2-(4-phenylbutoxy)phenyl]methanol (CID 114333944) is [3-methyl-2-(4-phenylbutoxy)phenyl]methanol.
What is the SMILES notation for [3-methyl-2-(4-phenylbutoxy)phenyl]methanol?
The canonical SMILES for [3-methyl-2-(4-phenylbutoxy)phenyl]methanol is Cc1cccc(CO)c1OCCCCc1ccccc1.
What is the InChIKey of [3-methyl-2-(4-phenylbutoxy)phenyl]methanol?
The InChIKey is SQCUWKOJHMJTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-15-8-7-12-17(14-19)18(15)20-13-6-5-11-16-9-3-2-4-10-16/h2-4,7-10,12,19H,5-6,11,13-14H2,1H3.
What are the key properties of [3-methyl-2-(4-phenylbutoxy)phenyl]methanol?
[3-methyl-2-(4-phenylbutoxy)phenyl]methanol has a molecular weight of 270.37 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(4-phenylbutoxy)phenyl]methanol is sourced from PubChem (CID 114333944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).