3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid

C19H21ClO5 — CID 142600538

IUPAC3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid
SMILESCOc1cc(C(=O)O)cc(Cl)c1OCc1cccc(OC(C)(C)C)c1
InChIInChI=1S/C19H21ClO5/c1-19(2,3)25-14-7-5-6-12(8-14)11-24-17-15(20)9-13(18(21)22)10-16(17)23-4/h5-10H,11H2,1-4H3,(H,21,22)
InChIKeyKQZCAMPBLFLTSN-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.80
Rot. Bonds6

About 3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid

3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid (PubChem CID 142600538) has the molecular formula C19H21ClO5 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid
PubChem CID142600538
Molecular FormulaC19H21ClO5
Molecular Weight364.83 g/mol
Exact Mass364.11
IUPAC Name3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid
SMILESCOc1cc(C(=O)O)cc(Cl)c1OCc1cccc(OC(C)(C)C)c1
InChIInChI=1S/C19H21ClO5/c1-19(2,3)25-14-7-5-6-12(8-14)11-24-17-15(20)9-13(18(21)22)10-16(17)23-4/h5-10H,11H2,1-4H3,(H,21,22)
InChIKeyKQZCAMPBLFLTSN-UHFFFAOYSA-N
XLogP4.80
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015
4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
CID 59303396
3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 8706920
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzoic acid
CID 43646189
4-[(3-bromophenyl)methoxy]-3-chloro-5-ethoxybenzoic acid
CID 91683362
3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 8707053
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 43343574
4-[[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid
CID 894276
3-[(4-bromo-2,6-dimethoxyphenoxy)methyl]benzoic acid
CID 22681001
methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682617
3-chloro-4-(cyanomethoxy)-5-methoxybenzoic acid
CID 28898022

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid?
The IUPAC name of 3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid (CID 142600538) is 3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid.
What is the SMILES notation for 3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid?
The canonical SMILES for 3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid is COc1cc(C(=O)O)cc(Cl)c1OCc1cccc(OC(C)(C)C)c1.
What is the InChIKey of 3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid?
The InChIKey is KQZCAMPBLFLTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO5/c1-19(2,3)25-14-7-5-6-12(8-14)11-24-17-15(20)9-13(18(21)22)10-16(17)23-4/h5-10H,11H2,1-4H3,(H,21,22).
What are the key properties of 3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid?
3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid has a molecular weight of 364.83 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid is sourced from PubChem (CID 142600538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).