1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol

C14H18O3 — CID 174881612

IUPAC1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(C=CC(O)C2CC2)cc1OC
InChIInChI=1S/C14H18O3/c1-16-13-8-4-10(9-14(13)17-2)3-7-12(15)11-5-6-11/h3-4,7-9,11-12,15H,5-6H2,1-2H3
InChIKeyVHAPEMQHNZOTDY-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.49
Rot. Bonds5

About 1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol

1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol (PubChem CID 174881612) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol
PubChem CID174881612
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(C=CC(O)C2CC2)cc1OC
InChIInChI=1S/C14H18O3/c1-16-13-8-4-10(9-14(13)17-2)3-7-12(15)11-5-6-11/h3-4,7-9,11-12,15H,5-6H2,1-2H3
InChIKeyVHAPEMQHNZOTDY-UHFFFAOYSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-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

(E,1S)-1-amino-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol
CID 124638889
(2S)-4-(3,4-dimethoxyphenyl)but-3-ene-1,2-diol
CID 162958577
5-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-oxopent-4-enal
CID 91312479
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
4-ethenyl-1,2-dimethoxybenzene
CID 159733418
4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
CID 102548714
(1S,2S)-1-[(1S)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enyl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 162877591
(1S,2R)-1-[(1R)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enyl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 162877590
4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
CID 101201572
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol
CID 89099987

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol (CID 174881612) is 1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol is COc1ccc(C=CC(O)C2CC2)cc1OC.
What is the InChIKey of 1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol?
The InChIKey is VHAPEMQHNZOTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-16-13-8-4-10(9-14(13)17-2)3-7-12(15)11-5-6-11/h3-4,7-9,11-12,15H,5-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol?
1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol has a molecular weight of 234.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 174881612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).