(E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one

C18H16O2 — CID 67659954

IUPAC(E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one
SMILESC/C=C\c1cccc(C(=O)/C=C/c2ccccc2)c1O
InChIInChI=1S/C18H16O2/c1-2-7-15-10-6-11-16(18(15)20)17(19)13-12-14-8-4-3-5-9-14/h2-13,20H,1H3/b7-2-,13-12+
InChIKeyKCAOMDCOQNGMPG-MEIPFPOOSA-N
MW264.32 g/mol
LogP4.32
Rot. Bonds4

About (E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one

(E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one (PubChem CID 67659954) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one
PubChem CID67659954
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one
SMILESC/C=C\c1cccc(C(=O)/C=C/c2ccccc2)c1O
InChIInChI=1S/C18H16O2/c1-2-7-15-10-6-11-16(18(15)20)17(19)13-12-14-8-4-3-5-9-14/h2-13,20H,1H3/b7-2-,13-12+
InChIKeyKCAOMDCOQNGMPG-MEIPFPOOSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one
CID 142713013
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 11043762
2,6-bis[(E)-prop-1-enyl]phenol
CID 21472692
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5272792
methyl 2-[(E)-3-phenylprop-2-enoyl]benzoate
CID 10333131
(Z)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92529821
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one (CID 67659954) is (E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one is C/C=C\c1cccc(C(=O)/C=C/c2ccccc2)c1O.
What is the InChIKey of (E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one?
The InChIKey is KCAOMDCOQNGMPG-MEIPFPOOSA-N. The full InChI is InChI=1S/C18H16O2/c1-2-7-15-10-6-11-16(18(15)20)17(19)13-12-14-8-4-3-5-9-14/h2-13,20H,1H3/b7-2-,13-12+.
What are the key properties of (E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one?
(E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one has a molecular weight of 264.32 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-hydroxy-3-[(Z)-prop-1-enyl]phenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 67659954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).