2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid

C22H16O4 — CID 121431911

IUPAC2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid
SMILESC=c1ccc2c(c1)Oc1ccc(OC)cc1C=2c1ccccc1C(=O)O
InChIInChI=1S/C22H16O4/c1-13-7-9-17-20(11-13)26-19-10-8-14(25-2)12-18(19)21(17)15-5-3-4-6-16(15)22(23)24/h3-12H,1H2,2H3,(H,23,24)
InChIKeyQVCDEANGUUHFOV-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.16
Rot. Bonds3

About 2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid

2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid (PubChem CID 121431911) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid.

Molecular Properties

Compound Name2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid
PubChem CID121431911
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid
SMILESC=c1ccc2c(c1)Oc1ccc(OC)cc1C=2c1ccccc1C(=O)O
InChIInChI=1S/C22H16O4/c1-13-7-9-17-20(11-13)26-19-10-8-14(25-2)12-18(19)21(17)15-5-3-4-6-16(15)22(23)24/h3-12H,1H2,2H3,(H,23,24)
InChIKeyQVCDEANGUUHFOV-UHFFFAOYSA-N
XLogP3.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9,10-bis[2-(6-methoxynaphthalen-1-yl)ethynyl]anthracene;9-(2-carboxyphenyl)-6-methylidenexanthen-3-olate;4-[2-[4-[2-[4-(dimethylamino)phenyl]ethynyl]naphthalen-1-yl]ethynyl]-N,N-dimethylaniline;17-methylidene-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,11,13,18(22),19-decaen-15-one;perylene;pyrene
CID 159495441
2-[3-(diethylamino)-6-methylidenexanthen-9-yl]benzoic acid;ethyl 2-[3-(ethylamino)-2,7-dimethyl-6-methylidenexanthen-9-yl]benzoate;dichloride
CID 158643512
4-chloro-2-methoxyfluoren-9-one;2-(2-chloro-4-methoxyphenyl)benzoic acid
CID 158745717
2-(2-chloro-6-hydroxy-5-methyl-3-methylidenexanthen-9-yl)benzoic acid
CID 143196709
5-methoxy-1-benzofuran-2,3-dione
CID 153138791
2-(2-chloro-5-methoxy-N-oxaloanilino)benzoic acid
CID 10154849
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
1-(12-acetyl-4-methoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-yl)ethanone
CID 70830450
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
9-(4-acetyl-2-carboxyphenyl)-6-methylidenexanthen-3-olate;9-(2-carboxy-5-formylphenyl)-6-methylidenexanthen-3-olate;9-(2-carboxyphenyl)-6-oxoxanthen-3-olate;ethane;propan-2-one
CID 164947219
2-[3-[3-[[4-[carboxymethyl(methyl)amino]-3-[2-[2-(dimethylamino)phenoxy]ethoxy]phenyl]carbamoyl]azetidin-1-yl]-6-methylidenexanthen-9-yl]benzoic acid
CID 166026328

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid?
The IUPAC name of 2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid (CID 121431911) is 2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid.
What is the SMILES notation for 2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid?
The canonical SMILES for 2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid is C=c1ccc2c(c1)Oc1ccc(OC)cc1C=2c1ccccc1C(=O)O.
What is the InChIKey of 2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid?
The InChIKey is QVCDEANGUUHFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c1-13-7-9-17-20(11-13)26-19-10-8-14(25-2)12-18(19)21(17)15-5-3-4-6-16(15)22(23)24/h3-12H,1H2,2H3,(H,23,24).
What are the key properties of 2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid?
2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid has a molecular weight of 344.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6-methylidenexanthen-9-yl)benzoic acid is sourced from PubChem (CID 121431911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).