2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol

C11H11ClO2 — CID 140990487

IUPAC2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol
SMILESCc1ccc2c(c1)C(O)C=C(Cl)C2O
InChIInChI=1S/C11H11ClO2/c1-6-2-3-7-8(4-6)10(13)5-9(12)11(7)14/h2-5,10-11,13-14H,1H3
InChIKeyXGVHSTQROWRUGR-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.20
Rot. Bonds

About 2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol

2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol (PubChem CID 140990487) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol.

Molecular Properties

Compound Name2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol
PubChem CID140990487
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol
SMILESCc1ccc2c(c1)C(O)C=C(Cl)C2O
InChIInChI=1S/C11H11ClO2/c1-6-2-3-7-8(4-6)10(13)5-9(12)11(7)14/h2-5,10-11,13-14H,1H3
InChIKeyXGVHSTQROWRUGR-UHFFFAOYSA-N
XLogP2.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol
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6-methyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013062
2,4-dimethylphenol
CID 67713801
5-methyl-2,3-bis(4-methylphenyl)-1H-inden-1-ol
CID 134983672
5-methyl-2,3-dipropyl-1H-inden-1-ol
CID 134983328
2-chloro-1-cyclopropyl-4-methylbenzene;ethane
CID 144845511
CID 175892141
CID 175892141
2,4-dimethylphenol;yttrium
CID 87733318
CID 172763014
CID 172763014

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol?
The IUPAC name of 2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol (CID 140990487) is 2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol.
What is the SMILES notation for 2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol?
The canonical SMILES for 2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol is Cc1ccc2c(c1)C(O)C=C(Cl)C2O.
What is the InChIKey of 2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol?
The InChIKey is XGVHSTQROWRUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-6-2-3-7-8(4-6)10(13)5-9(12)11(7)14/h2-5,10-11,13-14H,1H3.
What are the key properties of 2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol?
2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol has a molecular weight of 210.66 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-1,4-dihydronaphthalene-1,4-diol is sourced from PubChem (CID 140990487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).