3-[4-(2-methylphenyl)butoxy]phenol

C17H20O2 — CID 175374188

IUPAC3-[4-(2-methylphenyl)butoxy]phenol
SMILESCc1ccccc1CCCCOc1cccc(O)c1
InChIInChI=1S/C17H20O2/c1-14-7-2-3-8-15(14)9-4-5-12-19-17-11-6-10-16(18)13-17/h2-3,6-8,10-11,13,18H,4-5,9,12H2,1H3
InChIKeyJQNVMSATEGQSFN-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.10
Rot. Bonds6

About 3-[4-(2-methylphenyl)butoxy]phenol

3-[4-(2-methylphenyl)butoxy]phenol (PubChem CID 175374188) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[4-(2-methylphenyl)butoxy]phenol.

Molecular Properties

Compound Name3-[4-(2-methylphenyl)butoxy]phenol
PubChem CID175374188
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name3-[4-(2-methylphenyl)butoxy]phenol
SMILESCc1ccccc1CCCCOc1cccc(O)c1
InChIInChI=1S/C17H20O2/c1-14-7-2-3-8-15(14)9-4-5-12-19-17-11-6-10-16(18)13-17/h2-3,6-8,10-11,13,18H,4-5,9,12H2,1H3
InChIKeyJQNVMSATEGQSFN-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.10
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

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CID 54079626
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626
3-dodecoxyphenol
CID 15719132
2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate
CID 22241290
3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol
CID 39371634
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide
CID 145375751
N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline
CID 54800496
2-(7-phenoxyheptyl)phenol
CID 141346388
1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea
CID 12953602
4-(2-methylphenyl)butyl acetate
CID 145430143
formic acid;3-hexoxyphenol
CID 174800460

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylphenyl)butoxy]phenol?
The IUPAC name of 3-[4-(2-methylphenyl)butoxy]phenol (CID 175374188) is 3-[4-(2-methylphenyl)butoxy]phenol.
What is the SMILES notation for 3-[4-(2-methylphenyl)butoxy]phenol?
The canonical SMILES for 3-[4-(2-methylphenyl)butoxy]phenol is Cc1ccccc1CCCCOc1cccc(O)c1.
What is the InChIKey of 3-[4-(2-methylphenyl)butoxy]phenol?
The InChIKey is JQNVMSATEGQSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-14-7-2-3-8-15(14)9-4-5-12-19-17-11-6-10-16(18)13-17/h2-3,6-8,10-11,13,18H,4-5,9,12H2,1H3.
What are the key properties of 3-[4-(2-methylphenyl)butoxy]phenol?
3-[4-(2-methylphenyl)butoxy]phenol has a molecular weight of 256.35 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylphenyl)butoxy]phenol is sourced from PubChem (CID 175374188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).