(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid

C17H16O3 — CID 102534265

IUPAC(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
SMILESO=C(O)C/C=C/c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H16O3/c18-17(19)11-5-9-14-8-4-10-16(12-14)20-13-15-6-2-1-3-7-15/h1-10,12H,11,13H2,(H,18,19)/b9-5+
InChIKeyNTVAVWFPUUGGRS-WEVVVXLNSA-N
MW268.31 g/mol
LogP3.75
Rot. Bonds6

About (E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid

(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid (PubChem CID 102534265) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
PubChem CID102534265
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
SMILESO=C(O)C/C=C/c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H16O3/c18-17(19)11-5-9-14-8-4-10-16(12-14)20-13-15-6-2-1-3-7-15/h1-10,12H,11,13H2,(H,18,19)/b9-5+
InChIKeyNTVAVWFPUUGGRS-WEVVVXLNSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(3-phenylmethoxyphenyl)but-3-enoate
CID 170797112
S-[3-(3-phenylmethoxyphenyl)prop-2-enyl] ethanethioate
CID 169458192
N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide
CID 163182445
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
(E)-1-(2-bromophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 6153182
(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42201925
(E)-3-methoxycarbonyl-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 68858206
(E)-3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 29018393
(E)-3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42303981
1-[(E)-2-nitroprop-1-enyl]-3-phenylmethoxybenzene
CID 24721025
3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20984640
4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid
CID 54348425

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid?
The IUPAC name of (E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid (CID 102534265) is (E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid.
What is the SMILES notation for (E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid?
The canonical SMILES for (E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid is O=C(O)C/C=C/c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid?
The InChIKey is NTVAVWFPUUGGRS-WEVVVXLNSA-N. The full InChI is InChI=1S/C17H16O3/c18-17(19)11-5-9-14-8-4-10-16(12-14)20-13-15-6-2-1-3-7-15/h1-10,12H,11,13H2,(H,18,19)/b9-5+.
What are the key properties of (E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid?
(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid has a molecular weight of 268.31 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid is sourced from PubChem (CID 102534265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).