3-methyl-1-(4-propoxyphenyl)butane-1,2-diol

C14H22O3 — CID 103456682

IUPAC3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
SMILESCCCOc1ccc(C(O)C(O)C(C)C)cc1
InChIInChI=1S/C14H22O3/c1-4-9-17-12-7-5-11(6-8-12)14(16)13(15)10(2)3/h5-8,10,13-16H,4,9H2,1-3H3
InChIKeySZHPGCTYOIWKTK-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.53
Rot. Bonds6

About 3-methyl-1-(4-propoxyphenyl)butane-1,2-diol

3-methyl-1-(4-propoxyphenyl)butane-1,2-diol (PubChem CID 103456682) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methyl-1-(4-propoxyphenyl)butane-1,2-diol.

Molecular Properties

Compound Name3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
PubChem CID103456682
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
SMILESCCCOc1ccc(C(O)C(O)C(C)C)cc1
InChIInChI=1S/C14H22O3/c1-4-9-17-12-7-5-11(6-8-12)14(16)13(15)10(2)3/h5-8,10,13-16H,4,9H2,1-3H3
InChIKeySZHPGCTYOIWKTK-UHFFFAOYSA-N
XLogP2.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(4-propoxyphenyl)butane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butoxyphenyl)-2-methylbutan-1-ol
CID 105116550
2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol
CID 82314100
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
2-(4-propoxyphenyl)pentan-3-one
CID 79307354
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid
CID 82314103
1-(4-propoxyphenyl)prop-2-yn-1-ol
CID 18175407
(4-ethylphenyl)-(4-propoxyphenyl)methanol
CID 62796114
1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene
CID 139694252
1-(3-bromo-4-methylpentan-2-yl)-4-propoxybenzene
CID 79298454
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propoxyphenyl)butane-1,2-diol?
The IUPAC name of 3-methyl-1-(4-propoxyphenyl)butane-1,2-diol (CID 103456682) is 3-methyl-1-(4-propoxyphenyl)butane-1,2-diol.
What is the SMILES notation for 3-methyl-1-(4-propoxyphenyl)butane-1,2-diol?
The canonical SMILES for 3-methyl-1-(4-propoxyphenyl)butane-1,2-diol is CCCOc1ccc(C(O)C(O)C(C)C)cc1.
What is the InChIKey of 3-methyl-1-(4-propoxyphenyl)butane-1,2-diol?
The InChIKey is SZHPGCTYOIWKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-9-17-12-7-5-11(6-8-12)14(16)13(15)10(2)3/h5-8,10,13-16H,4,9H2,1-3H3.
What are the key properties of 3-methyl-1-(4-propoxyphenyl)butane-1,2-diol?
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol has a molecular weight of 238.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propoxyphenyl)butane-1,2-diol is sourced from PubChem (CID 103456682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).