4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid

C19H20O4 — CID 169449694

IUPAC4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid
SMILESCOc1cccc(-c2ccc(C3(C(=O)O)CCOCC3)cc2)c1
InChIInChI=1S/C19H20O4/c1-22-17-4-2-3-15(13-17)14-5-7-16(8-6-14)19(18(20)21)9-11-23-12-10-19/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyJACLNQIYRLEJOJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.49
Rot. Bonds4

About 4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid

4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid (PubChem CID 169449694) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid
PubChem CID169449694
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid
SMILESCOc1cccc(-c2ccc(C3(C(=O)O)CCOCC3)cc2)c1
InChIInChI=1S/C19H20O4/c1-22-17-4-2-3-15(13-17)14-5-7-16(8-6-14)19(18(20)21)9-11-23-12-10-19/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyJACLNQIYRLEJOJ-UHFFFAOYSA-N
XLogP3.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280
N-[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 59206248
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039519
1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 39226104
1-[4-(2-amino-4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039271
1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile
CID 169408841
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-(3-methoxyphenyl)phenyl]ethanone
CID 123803503
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353654
methyl 3-(4-phenylphenyl)oxetane-3-carboxylate
CID 116873513
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 27456725

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid (CID 169449694) is 4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid is COc1cccc(-c2ccc(C3(C(=O)O)CCOCC3)cc2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid?
The InChIKey is JACLNQIYRLEJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-22-17-4-2-3-15(13-17)14-5-7-16(8-6-14)19(18(20)21)9-11-23-12-10-19/h2-8,13H,9-12H2,1H3,(H,20,21).
What are the key properties of 4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid?
4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid is sourced from PubChem (CID 169449694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).