(4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone

C18H15ClO3 — CID 11723188

IUPAC(4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone
SMILESCC1=CCc2c(O)c(C(=O)c3ccc(Cl)cc3)cc(O)c2C1
InChIInChI=1S/C18H15ClO3/c1-10-2-7-13-14(8-10)16(20)9-15(18(13)22)17(21)11-3-5-12(19)6-4-11/h2-6,9,20,22H,7-8H2,1H3
InChIKeyLGXUGGVQAUICQQ-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.03
Rot. Bonds2

About (4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone

(4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone (PubChem CID 11723188) has the molecular formula C18H15ClO3 and a molecular weight of 314.77 g/mol. Its IUPAC name is (4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone
PubChem CID11723188
Molecular FormulaC18H15ClO3
Molecular Weight314.77 g/mol
Exact Mass314.07
IUPAC Name(4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone
SMILESCC1=CCc2c(O)c(C(=O)c3ccc(Cl)cc3)cc(O)c2C1
InChIInChI=1S/C18H15ClO3/c1-10-2-7-13-14(8-10)16(20)9-15(18(13)22)17(21)11-3-5-12(19)6-4-11/h2-6,9,20,22H,7-8H2,1H3
InChIKeyLGXUGGVQAUICQQ-UHFFFAOYSA-N
XLogP4.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-butyl-5-(4-chlorobenzoyl)-2,6-dihydroxybenzoic acid
CID 87763873
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
(4-chlorophenyl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 10399889
(3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone
CID 13192784
3-(4-chlorobenzoyl)-4-hydroxy-6-methylpyran-2-one
CID 135969026
4-(4-chlorobenzoyl)benzene-1,3-dicarboxylic acid
CID 587323
(4-chlorophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803147
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(6-chloro-2,3,4-trihydroxyphenyl)-(4-methylphenyl)methanone
CID 166522827
(4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 115604683
3-(4-chlorobenzoyl)-5,6-dimethylpyridine-2-carboxylic acid
CID 168886977
1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one
CID 118237523

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone (CID 11723188) is (4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone is CC1=CCc2c(O)c(C(=O)c3ccc(Cl)cc3)cc(O)c2C1.
What is the InChIKey of (4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone?
The InChIKey is LGXUGGVQAUICQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO3/c1-10-2-7-13-14(8-10)16(20)9-15(18(13)22)17(21)11-3-5-12(19)6-4-11/h2-6,9,20,22H,7-8H2,1H3.
What are the key properties of (4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone?
(4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone has a molecular weight of 314.77 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone is sourced from PubChem (CID 11723188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).