4-[3-(3,4-dimethoxyphenyl)butyl]phenol

C18H22O3 — CID 91095418

IUPAC4-[3-(3,4-dimethoxyphenyl)butyl]phenol
SMILESCOc1ccc(C(C)CCc2ccc(O)cc2)cc1OC
InChIInChI=1S/C18H22O3/c1-13(4-5-14-6-9-16(19)10-7-14)15-8-11-17(20-2)18(12-15)21-3/h6-13,19H,4-5H2,1-3H3
InChIKeyCUHSIZGEBWGJTL-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.15
Rot. Bonds6

About 4-[3-(3,4-dimethoxyphenyl)butyl]phenol

4-[3-(3,4-dimethoxyphenyl)butyl]phenol (PubChem CID 91095418) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[3-(3,4-dimethoxyphenyl)butyl]phenol.

Molecular Properties

Compound Name4-[3-(3,4-dimethoxyphenyl)butyl]phenol
PubChem CID91095418
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name4-[3-(3,4-dimethoxyphenyl)butyl]phenol
SMILESCOc1ccc(C(C)CCc2ccc(O)cc2)cc1OC
InChIInChI=1S/C18H22O3/c1-13(4-5-14-6-9-16(19)10-7-14)15-8-11-17(20-2)18(12-15)21-3/h6-13,19H,4-5H2,1-3H3
InChIKeyCUHSIZGEBWGJTL-UHFFFAOYSA-N
XLogP4.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol
CID 119165275
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 25489004
4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol
CID 119122211
3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81020042
4-[(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-hydroxy-3-methylbutyl]phenol
CID 67673264
4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol
CID 77253546

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethoxyphenyl)butyl]phenol?
The IUPAC name of 4-[3-(3,4-dimethoxyphenyl)butyl]phenol (CID 91095418) is 4-[3-(3,4-dimethoxyphenyl)butyl]phenol.
What is the SMILES notation for 4-[3-(3,4-dimethoxyphenyl)butyl]phenol?
The canonical SMILES for 4-[3-(3,4-dimethoxyphenyl)butyl]phenol is COc1ccc(C(C)CCc2ccc(O)cc2)cc1OC.
What is the InChIKey of 4-[3-(3,4-dimethoxyphenyl)butyl]phenol?
The InChIKey is CUHSIZGEBWGJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-13(4-5-14-6-9-16(19)10-7-14)15-8-11-17(20-2)18(12-15)21-3/h6-13,19H,4-5H2,1-3H3.
What are the key properties of 4-[3-(3,4-dimethoxyphenyl)butyl]phenol?
4-[3-(3,4-dimethoxyphenyl)butyl]phenol has a molecular weight of 286.37 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethoxyphenyl)butyl]phenol is sourced from PubChem (CID 91095418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).