2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol

C15H13ClO2 — CID 167666261

IUPAC2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol
SMILESCc1ccc2c(c1)C(C)Oc1cc(O)c(Cl)cc1-2
InChIInChI=1S/C15H13ClO2/c1-8-3-4-10-11(5-8)9(2)18-15-7-14(17)13(16)6-12(10)15/h3-7,9,17H,1-2H3
InChIKeyQMTIYJBYLMEKLB-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.47
Rot. Bonds

About 2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol

2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol (PubChem CID 167666261) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol.

Molecular Properties

Compound Name2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol
PubChem CID167666261
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol
SMILESCc1ccc2c(c1)C(C)Oc1cc(O)c(Cl)cc1-2
InChIInChI=1S/C15H13ClO2/c1-8-3-4-10-11(5-8)9(2)18-15-7-14(17)13(16)6-12(10)15/h3-7,9,17H,1-2H3
InChIKeyQMTIYJBYLMEKLB-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6,8-trimethyl-6H-benzo[c]chromene
CID 59449406
2,5-dimethyl-3-methylidene-1-benzofuran
CID 126604553
(4S)-2-(3-chloro-4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950608
2-chloro-5-(2-chloro-4-methylphenyl)phenol
CID 53221345
2,5-dichloro-4-(3-methylphenyl)phenol
CID 107663307
3-chloro-2,7-dimethyl-2H-1,4-benzoxazine
CID 82363801
6H-benzo[c]chromen-3-ol;tert-butyl 3'-hydroxy-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylate;2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol;2-chloro-6,6,8-trimethylbenzo[c]chromen-3-ol;8-methoxyspiro[benzo[c]chromene-6,3'-oxetane]-3-ol;bis(8'-methylspiro[azetidine-3,6'-benzo[c]chromene]-3'-ol);8-(2-phenylethoxy)spiro[benzo[c]chromene-6,3'-oxetane]-3-ol;hydrobromide
CID 167666260
2,7-dimethyl-2,3-dihydrochromen-4-one
CID 584383
2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol
CID 102489706
4,14-dichloro-8,10-dioxapentacyclo[7.7.6.02,7.011,16.017,22]docosa-2,4,6,11,13,15,17,19,21-nonaene-5,13-diol
CID 139192737
6-chloro-2-methyl-1-benzofuran-3-one
CID 19384688
(3R)-5-chloro-3-methyl-3H-2-benzofuran-1-one
CID 168984484

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol?
The IUPAC name of 2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol (CID 167666261) is 2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol.
What is the SMILES notation for 2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol?
The canonical SMILES for 2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol is Cc1ccc2c(c1)C(C)Oc1cc(O)c(Cl)cc1-2.
What is the InChIKey of 2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol?
The InChIKey is QMTIYJBYLMEKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-8-3-4-10-11(5-8)9(2)18-15-7-14(17)13(16)6-12(10)15/h3-7,9,17H,1-2H3.
What are the key properties of 2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol?
2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol has a molecular weight of 260.72 g/mol, XLogP of 4.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,8-dimethyl-6H-benzo[c]chromen-3-ol is sourced from PubChem (CID 167666261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).