(1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol

C19H22O2 — CID 170673933

IUPAC(1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol
SMILESCc1ccccc1[C@]1(C)c2ccccc2[C@H](C)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H22O2/c1-12-8-4-6-10-15(12)19(3)16-11-7-5-9-14(16)13(2)17(20)18(19)21/h4-11,13,17-18,20-21H,1-3H3/t13-,17+,18+,19+/m0/s1
InChIKeyVNEUHFACVHNCHI-JGNHQEBTSA-N
MW282.38 g/mol
LogP3.14
Rot. Bonds1

About (1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol

(1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol (PubChem CID 170673933) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol.

Molecular Properties

Compound Name(1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol
PubChem CID170673933
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol
SMILESCc1ccccc1[C@]1(C)c2ccccc2[C@H](C)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H22O2/c1-12-8-4-6-10-15(12)19(3)16-11-7-5-9-14(16)13(2)17(20)18(19)21/h4-11,13,17-18,20-21H,1-3H3/t13-,17+,18+,19+/m0/s1
InChIKeyVNEUHFACVHNCHI-JGNHQEBTSA-N
XLogP3.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol?
The IUPAC name of (1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol (CID 170673933) is (1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol.
What is the SMILES notation for (1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol?
The canonical SMILES for (1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol is Cc1ccccc1[C@]1(C)c2ccccc2[C@H](C)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol?
The InChIKey is VNEUHFACVHNCHI-JGNHQEBTSA-N. The full InChI is InChI=1S/C19H22O2/c1-12-8-4-6-10-15(12)19(3)16-11-7-5-9-14(16)13(2)17(20)18(19)21/h4-11,13,17-18,20-21H,1-3H3/t13-,17+,18+,19+/m0/s1.
What are the key properties of (1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol?
(1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol has a molecular weight of 282.38 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol is sourced from PubChem (CID 170673933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).