2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid

C18H19ClO3 — CID 51057233

IUPAC2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid
SMILESCC(C)c1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1
InChIInChI=1S/C18H19ClO3/c1-12(2)15-6-3-13(4-7-15)11-22-17-8-5-14(9-16(17)19)10-18(20)21/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyHYPWEHDKOKVLRO-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.67
Rot. Bonds6

About 2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid

2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid (PubChem CID 51057233) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid
PubChem CID51057233
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Name2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid
SMILESCC(C)c1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1
InChIInChI=1S/C18H19ClO3/c1-12(2)15-6-3-13(4-7-15)11-22-17-8-5-14(9-16(17)19)10-18(20)21/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyHYPWEHDKOKVLRO-UHFFFAOYSA-N
XLogP4.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butoxy-3-chlorophenyl)acetic acid
CID 27380
2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine
CID 45052899
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid
CID 3534941
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 110190887
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
2-bromo-4-(chloromethyl)-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63536071
(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol
CID 78944255
1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid (CID 51057233) is 2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid is CC(C)c1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1.
What is the InChIKey of 2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid?
The InChIKey is HYPWEHDKOKVLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-12(2)15-6-3-13(4-7-15)11-22-17-8-5-14(9-16(17)19)10-18(20)21/h3-9,12H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid?
2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid has a molecular weight of 318.80 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 51057233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).