5-(2-methoxyphenyl)pent-3-en-2-one

C12H14O2 — CID 56996331

IUPAC5-(2-methoxyphenyl)pent-3-en-2-one
SMILESCOc1ccccc1CC=CC(C)=O
InChIInChI=1S/C12H14O2/c1-10(13)6-5-8-11-7-3-4-9-12(11)14-2/h3-7,9H,8H2,1-2H3
InChIKeyFSUFQROPVZFYEL-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.38
Rot. Bonds4

About 5-(2-methoxyphenyl)pent-3-en-2-one

5-(2-methoxyphenyl)pent-3-en-2-one (PubChem CID 56996331) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)pent-3-en-2-one.

Molecular Properties

Compound Name5-(2-methoxyphenyl)pent-3-en-2-one
PubChem CID56996331
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-(2-methoxyphenyl)pent-3-en-2-one
SMILESCOc1ccccc1CC=CC(C)=O
InChIInChI=1S/C12H14O2/c1-10(13)6-5-8-11-7-3-4-9-12(11)14-2/h3-7,9H,8H2,1-2H3
InChIKeyFSUFQROPVZFYEL-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-5-(2-methoxyphenyl)pent-3-enoate
CID 101147955
(E)-4-(2-methoxyphenyl)but-2-en-1-ol
CID 15500390
(E)-5-(2-aminophenyl)pent-3-en-2-one
CID 23503586
1-(3-bromoprop-2-enyl)-2-methoxybenzene
CID 141455230
1-methoxy-2-(4-phenylbut-2-enyl)benzene
CID 91447895
[2-[4-(2-acetyloxyphenyl)but-2-enyl]phenyl] acetate
CID 123328089
4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid
CID 159607739
(E)-6-(2-methoxyphenyl)sulfanylhex-3-en-2-one
CID 19902761
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
(Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile
CID 13468543

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)pent-3-en-2-one?
The IUPAC name of 5-(2-methoxyphenyl)pent-3-en-2-one (CID 56996331) is 5-(2-methoxyphenyl)pent-3-en-2-one.
What is the SMILES notation for 5-(2-methoxyphenyl)pent-3-en-2-one?
The canonical SMILES for 5-(2-methoxyphenyl)pent-3-en-2-one is COc1ccccc1CC=CC(C)=O.
What is the InChIKey of 5-(2-methoxyphenyl)pent-3-en-2-one?
The InChIKey is FSUFQROPVZFYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-10(13)6-5-8-11-7-3-4-9-12(11)14-2/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)pent-3-en-2-one?
5-(2-methoxyphenyl)pent-3-en-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)pent-3-en-2-one is sourced from PubChem (CID 56996331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).