(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol

C14H16O3 — CID 126116692

IUPAC(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1c(CC=C)cc(CO)cc1OC
InChIInChI=1S/C14H16O3/c1-4-6-12-8-11(10-15)9-13(16-3)14(12)17-7-5-2/h2,4,8-9,15H,1,6-7,10H2,3H3
InChIKeyVJEFERJRHOKCJH-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.93
Rot. Bonds6

About (3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol

(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol (PubChem CID 126116692) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol.

Molecular Properties

Compound Name(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
PubChem CID126116692
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1c(CC=C)cc(CO)cc1OC
InChIInChI=1S/C14H16O3/c1-4-6-12-8-11(10-15)9-13(16-3)14(12)17-7-5-2/h2,4,8-9,15H,1,6-7,10H2,3H3
InChIKeyVJEFERJRHOKCJH-UHFFFAOYSA-N
XLogP1.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol 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-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
CID 126123356
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol
CID 104666169
3-(hydroxymethyl)-5-methoxy-4-prop-2-ynoxybenzoic acid
CID 89081793
[3-methoxy-4-[(3-nitrophenyl)methoxy]-5-prop-2-enylphenyl]methanol
CID 45371698
[4-(hydroxymethyl)-2-methoxy-6-prop-2-enylphenyl] 4-methylbenzenesulfonate
CID 126128719
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine;hydrochloride
CID 47002651
2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene
CID 155770275
[4-(2,4-dinitrophenoxy)-3-methoxy-5-prop-2-enylphenyl]methanol
CID 126117483
(3,5-dibromo-4-prop-2-ynoxyphenyl)methanol
CID 107738820
2-[3-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylamino]propylamino]ethanol
CID 17214431
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
CID 44610392

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol?
The IUPAC name of (3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol (CID 126116692) is (3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol.
What is the SMILES notation for (3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol?
The canonical SMILES for (3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol is C#CCOc1c(CC=C)cc(CO)cc1OC.
What is the InChIKey of (3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol?
The InChIKey is VJEFERJRHOKCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-4-6-12-8-11(10-15)9-13(16-3)14(12)17-7-5-2/h2,4,8-9,15H,1,6-7,10H2,3H3.
What are the key properties of (3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol?
(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol has a molecular weight of 232.28 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol is sourced from PubChem (CID 126116692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).