2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol

C15H22O3 — CID 79334289

IUPAC2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol
SMILESCCCOc1cc(C=C(CC)CO)ccc1OC
InChIInChI=1S/C15H22O3/c1-4-8-18-15-10-13(6-7-14(15)17-3)9-12(5-2)11-16/h6-7,9-10,16H,4-5,8,11H2,1-3H3
InChIKeyBFFSRDJPXJPGDI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.27
Rot. Bonds7

About 2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol

2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol (PubChem CID 79334289) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol
PubChem CID79334289
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol
SMILESCCCOc1cc(C=C(CC)CO)ccc1OC
InChIInChI=1S/C15H22O3/c1-4-8-18-15-10-13(6-7-14(15)17-3)9-12(5-2)11-16/h6-7,9-10,16H,4-5,8,11H2,1-3H3
InChIKeyBFFSRDJPXJPGDI-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol 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

3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335246
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-enoic acid
CID 79726677
4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
CID 22970780
4-[2-(chloromethyl)-3-methylbut-1-enyl]-1-methoxy-2-propoxybenzene
CID 79334021
2-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methylbutanal
CID 79335181
(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093109
1-methoxy-4-[(Z)-3-methyl-2-nitrobut-1-enyl]-2-propoxybenzene
CID 115347776
3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335593
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 20534154
4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene
CID 79323774
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl chloride
CID 82042141
(Z)-2-(4-hydroxyphenyl)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 83953947

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol?
The IUPAC name of 2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol (CID 79334289) is 2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol.
What is the SMILES notation for 2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol?
The canonical SMILES for 2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol is CCCOc1cc(C=C(CC)CO)ccc1OC.
What is the InChIKey of 2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol?
The InChIKey is BFFSRDJPXJPGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-8-18-15-10-13(6-7-14(15)17-3)9-12(5-2)11-16/h6-7,9-10,16H,4-5,8,11H2,1-3H3.
What are the key properties of 2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol?
2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol is sourced from PubChem (CID 79334289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).