8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one

C20H18O3 — CID 19972682

IUPAC8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(/C=C/CCO)cccc2c1=O
InChIInChI=1S/C20H18O3/c1-14-18(22)17-12-7-11-16(10-5-6-13-21)20(17)23-19(14)15-8-3-2-4-9-15/h2-5,7-12,21H,6,13H2,1H3/b10-5+
InChIKeyPCORNRVEBXHOPW-BJMVGYQFSA-N
MW306.36 g/mol
LogP4.16
Rot. Bonds4

About 8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one

8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one (PubChem CID 19972682) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one
PubChem CID19972682
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(/C=C/CCO)cccc2c1=O
InChIInChI=1S/C20H18O3/c1-14-18(22)17-12-7-11-16(10-5-6-13-21)20(17)23-19(14)15-8-3-2-4-9-15/h2-5,7-12,21H,6,13H2,1H3/b10-5+
InChIKeyPCORNRVEBXHOPW-BJMVGYQFSA-N
XLogP4.16
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one?
The IUPAC name of 8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one (CID 19972682) is 8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one?
The canonical SMILES for 8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one is Cc1c(-c2ccccc2)oc2c(/C=C/CCO)cccc2c1=O.
What is the InChIKey of 8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one?
The InChIKey is PCORNRVEBXHOPW-BJMVGYQFSA-N. The full InChI is InChI=1S/C20H18O3/c1-14-18(22)17-12-7-11-16(10-5-6-13-21)20(17)23-19(14)15-8-3-2-4-9-15/h2-5,7-12,21H,6,13H2,1H3/b10-5+.
What are the key properties of 8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one?
8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one has a molecular weight of 306.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-4-hydroxybut-1-enyl]-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 19972682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).