2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid

C16H15ClO4 — CID 139026989

IUPAC2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
SMILESCOc1ccc(COc2ccc(Cl)cc2CC(=O)O)cc1
InChIInChI=1S/C16H15ClO4/c1-20-14-5-2-11(3-6-14)10-21-15-7-4-13(17)8-12(15)9-16(18)19/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyWQPZDRWQQSUGFS-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.55
Rot. Bonds6

About 2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid

2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid (PubChem CID 139026989) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
PubChem CID139026989
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
SMILESCOc1ccc(COc2ccc(Cl)cc2CC(=O)O)cc1
InChIInChI=1S/C16H15ClO4/c1-20-14-5-2-11(3-6-14)10-21-15-7-4-13(17)8-12(15)9-16(18)19/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyWQPZDRWQQSUGFS-UHFFFAOYSA-N
XLogP3.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
1-[[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 86688727
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884683
5-chloro-2-[(4-methoxyphenyl)methoxy]benzenecarbothioamide
CID 62494579
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
ethyl 1-[[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylate
CID 86688726
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid (CID 139026989) is 2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid is COc1ccc(COc2ccc(Cl)cc2CC(=O)O)cc1.
What is the InChIKey of 2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid?
The InChIKey is WQPZDRWQQSUGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-20-14-5-2-11(3-6-14)10-21-15-7-4-13(17)8-12(15)9-16(18)19/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid?
2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid has a molecular weight of 306.75 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 139026989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).