methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate

C17H15ClO3 — CID 91685549

IUPACmethyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClO3/c1-20-17(19)10-7-13-3-2-4-16(11-13)21-12-14-5-8-15(18)9-6-14/h2-11H,12H2,1H3/b10-7+
InChIKeyQXUWSFZMRUVINT-JXMROGBWSA-N
MW302.76 g/mol
LogP4.11
Rot. Bonds5

About methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate

methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate (PubChem CID 91685549) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate
PubChem CID91685549
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Namemethyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClO3/c1-20-17(19)10-7-13-3-2-4-16(11-13)21-12-14-5-8-15(18)9-6-14/h2-11H,12H2,1H3/b10-7+
InChIKeyQXUWSFZMRUVINT-JXMROGBWSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-[3-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91685556
methyl (E)-3-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoate
CID 91689933
(E)-3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42303981
(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 91685524
3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20984640
(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
ethyl (E)-3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91685540
(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42201925
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
methyl 4-[[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3554770

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate (CID 91685549) is methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate is COC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate?
The InChIKey is QXUWSFZMRUVINT-JXMROGBWSA-N. The full InChI is InChI=1S/C17H15ClO3/c1-20-17(19)10-7-13-3-2-4-16(11-13)21-12-14-5-8-15(18)9-6-14/h2-11H,12H2,1H3/b10-7+.
What are the key properties of methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate?
methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate has a molecular weight of 302.76 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 91685549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).