CID 101146176

C12H9O3 — CID 101146176

IUPAC—
SMILESCOc1cc2ccccc2cc1C([O])=O
InChIInChI=1S/C12H9O3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h2-7H,1H3
InChIKeyJIVQUZRWVPJLSQ-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.42
Rot. Bonds2

About CID 101146176

CID 101146176 (PubChem CID 101146176) has the molecular formula C12H9O3 and a molecular weight of 201.20 g/mol.

Molecular Properties

Compound NameCID 101146176
PubChem CID101146176
Molecular FormulaC12H9O3
Molecular Weight201.20 g/mol
Exact Mass201.06
IUPAC Name—
SMILESCOc1cc2ccccc2cc1C([O])=O
InChIInChI=1S/C12H9O3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h2-7H,1H3
InChIKeyJIVQUZRWVPJLSQ-UHFFFAOYSA-N
XLogP2.42
TPSA46.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
CID 133250038
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide
CID 2712122
3-methoxy-N'-methyl-N'-phenylnaphthalene-2-carbohydrazide
CID 9479564
(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate
CID 24505759
N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 802722
(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone
CID 123555772
3-methoxy-N-[(2-methylphenyl)methyl]naphthalene-2-carboxamide
CID 9104702
N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408

Frequently Asked Questions

What is the IUPAC name of CID 101146176?
The IUPAC name of CID 101146176 (CID 101146176) is not available.
What is the SMILES notation for CID 101146176?
The canonical SMILES for CID 101146176 is COc1cc2ccccc2cc1C([O])=O.
What is the InChIKey of CID 101146176?
The InChIKey is JIVQUZRWVPJLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9O3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h2-7H,1H3.
What are the key properties of CID 101146176?
CID 101146176 has a molecular weight of 201.20 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101146176 is sourced from PubChem (CID 101146176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).