carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone

C17H14O5 — CID 70446513

IUPACcarbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc3c(cc2O)C=C3)c1.O=C(O)O
InChIInChI=1S/C16H12O2.CH2O3/c1-10-3-2-4-13(7-10)16(18)14-8-11-5-6-12(11)9-15(14)17;2-1(3)4/h2-9,17H,1H3;(H2,2,3,4)
InChIKeyROHBTWBTJPSXBG-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.64
Rot. Bonds2

About carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone

carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone (PubChem CID 70446513) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Namecarbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone
PubChem CID70446513
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Namecarbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc3c(cc2O)C=C3)c1.O=C(O)O
InChIInChI=1S/C16H12O2.CH2O3/c1-10-3-2-4-13(7-10)16(18)14-8-11-5-6-12(11)9-15(14)17;2-1(3)4/h2-9,17H,1H3;(H2,2,3,4)
InChIKeyROHBTWBTJPSXBG-UHFFFAOYSA-N
XLogP3.64
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-phenylmethanone
CID 70476179
bis(3-methylphenyl)methanone
CID 17848
2-(3-methylbenzoyl)benzoic acid
CID 2801746
(2-hydroxy-4-methylphenyl)-(3-methylphenyl)methanone;3-methylbenzoyl chloride;3-methylphenol
CID 162203025
3-methylbenzoic acid
CID 7418
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
CID 107984414
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide
CID 139492461
[4-hydroxy-3-(hydroxymethyl)phenyl]-(3-methylphenyl)methanone
CID 71390287
3-methyl-N-phenacylbenzamide
CID 3417494
[5-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4-dihydroxyphenyl]-phenylmethanone
CID 135843580

Frequently Asked Questions

What is the IUPAC name of carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone?
The IUPAC name of carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone (CID 70446513) is carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone.
What is the SMILES notation for carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone?
The canonical SMILES for carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2cc3c(cc2O)C=C3)c1.O=C(O)O.
What is the InChIKey of carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone?
The InChIKey is ROHBTWBTJPSXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2.CH2O3/c1-10-3-2-4-13(7-10)16(18)14-8-11-5-6-12(11)9-15(14)17;2-1(3)4/h2-9,17H,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone?
carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone has a molecular weight of 298.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-(3-methylphenyl)methanone is sourced from PubChem (CID 70446513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).