(1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol

C18H18O — CID 102034036

IUPAC(1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol
SMILESCc1cc2c(cc1C)[C@@H](O)[C@@H](c1ccccc1)C=C2
InChIInChI=1S/C18H18O/c1-12-10-15-8-9-16(14-6-4-3-5-7-14)18(19)17(15)11-13(12)2/h3-11,16,18-19H,1-2H3/t16-,18+/m1/s1
InChIKeyGNWASVFHJGBHBJ-AEFFLSMTSA-N
MW250.34 g/mol
LogP4.15
Rot. Bonds1

About (1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol

(1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol (PubChem CID 102034036) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is (1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol
PubChem CID102034036
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name(1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol
SMILESCc1cc2c(cc1C)[C@@H](O)[C@@H](c1ccccc1)C=C2
InChIInChI=1S/C18H18O/c1-12-10-15-8-9-16(14-6-4-3-5-7-14)18(19)17(15)11-13(12)2/h3-11,16,18-19H,1-2H3/t16-,18+/m1/s1
InChIKeyGNWASVFHJGBHBJ-AEFFLSMTSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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9-Anthracenemethanol
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2-Naphthalenemethanol
CID 74128
Benzo(a)pyrene-7,8-dihydrodiol
CID 25892
1,2,3,4-Tetrahydro-1-naphthalenol
CID 10723
12-Methylbenz(a)anthracene-7-methanol
CID 11285
3,4-Dimethylbenzyl alcohol
CID 23407

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol (CID 102034036) is (1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol is Cc1cc2c(cc1C)[C@@H](O)[C@@H](c1ccccc1)C=C2.
What is the InChIKey of (1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol?
The InChIKey is GNWASVFHJGBHBJ-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H18O/c1-12-10-15-8-9-16(14-6-4-3-5-7-14)18(19)17(15)11-13(12)2/h3-11,16,18-19H,1-2H3/t16-,18+/m1/s1.
What are the key properties of (1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol?
(1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol has a molecular weight of 250.34 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 102034036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).