2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid

C19H19ClO5 — CID 3534941

IUPAC2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid
SMILESC=CCOc1ccc(COc2ccc(CC(=O)O)cc2OC)cc1Cl
InChIInChI=1S/C19H19ClO5/c1-3-8-24-16-6-5-14(9-15(16)20)12-25-17-7-4-13(11-19(21)22)10-18(17)23-2/h3-7,9-10H,1,8,11-12H2,2H3,(H,21,22)
InChIKeyGCKMFQAJIUDYRW-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.12
Rot. Bonds9

About 2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid

2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid (PubChem CID 3534941) has the molecular formula C19H19ClO5 and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid
PubChem CID3534941
Molecular FormulaC19H19ClO5
Molecular Weight362.81 g/mol
Exact Mass362.09
IUPAC Name2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid
SMILESC=CCOc1ccc(COc2ccc(CC(=O)O)cc2OC)cc1Cl
InChIInChI=1S/C19H19ClO5/c1-3-8-24-16-6-5-14(9-15(16)20)12-25-17-7-4-13(11-19(21)22)10-18(17)23-2/h3-7,9-10H,1,8,11-12H2,2H3,(H,21,22)
InChIKeyGCKMFQAJIUDYRW-UHFFFAOYSA-N
XLogP4.12
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid
CID 51057233
2-acetyloxybenzoic acid;2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid
CID 68674202
methyl 2-[[2-(3-chloro-4-prop-2-enoxyphenyl)acetyl]amino]acetate
CID 12796233
sodium;2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173362845
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
N-[(E)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126326519
2-(4-butoxy-3-chlorophenyl)acetic acid
CID 27380
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
2-[3-chloro-4-(1-methylsulfanylprop-2-enoxy)phenyl]acetic acid
CID 54252755
[tert-butyl(dimethyl)silyl] 2-(3-chloro-4-prop-2-enoxyphenyl)acetate
CID 6429910
2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 7139436
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid?
The IUPAC name of 2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid (CID 3534941) is 2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid is C=CCOc1ccc(COc2ccc(CC(=O)O)cc2OC)cc1Cl.
What is the InChIKey of 2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid?
The InChIKey is GCKMFQAJIUDYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO5/c1-3-8-24-16-6-5-14(9-15(16)20)12-25-17-7-4-13(11-19(21)22)10-18(17)23-2/h3-7,9-10H,1,8,11-12H2,2H3,(H,21,22).
What are the key properties of 2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid?
2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid has a molecular weight of 362.81 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid is sourced from PubChem (CID 3534941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).