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

C18H18O3 — CID 132579460

IUPAC(1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol
SMILESCOc1cc2c(cc1OC)[C@@H](O)[C@H](c1ccccc1)C=C2
InChIInChI=1S/C18H18O3/c1-20-16-10-13-8-9-14(12-6-4-3-5-7-12)18(19)15(13)11-17(16)21-2/h3-11,14,18-19H,1-2H3/t14-,18-/m0/s1
InChIKeyZJKQOYYBTKXEFW-KSSFIOAISA-N
MW282.34 g/mol
LogP3.55
Rot. Bonds3

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

(1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol (PubChem CID 132579460) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol
PubChem CID132579460
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol
SMILESCOc1cc2c(cc1OC)[C@@H](O)[C@H](c1ccccc1)C=C2
InChIInChI=1S/C18H18O3/c1-20-16-10-13-8-9-14(12-6-4-3-5-7-12)18(19)15(13)11-17(16)21-2/h3-11,14,18-19H,1-2H3/t14-,18-/m0/s1
InChIKeyZJKQOYYBTKXEFW-KSSFIOAISA-N
XLogP3.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S,2R)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-yl]carbamate
CID 11326505
(1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol
CID 15402081
(1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol
CID 132579451
(2R,4R)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15657175
6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline
CID 101465786
(1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol
CID 11807312
6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 102167345
2-(4-chlorophenyl)-1,2-dihydronaphthalen-1-ol
CID 174973723
(1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol
CID 132598538
(3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544355
1-(2-methoxyphenyl)-1H-indene
CID 15345370
6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole
CID 90191273

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol (CID 132579460) is (1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol is COc1cc2c(cc1OC)[C@@H](O)[C@H](c1ccccc1)C=C2.
What is the InChIKey of (1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol?
The InChIKey is ZJKQOYYBTKXEFW-KSSFIOAISA-N. The full InChI is InChI=1S/C18H18O3/c1-20-16-10-13-8-9-14(12-6-4-3-5-7-12)18(19)15(13)11-17(16)21-2/h3-11,14,18-19H,1-2H3/t14-,18-/m0/s1.
What are the key properties of (1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol?
(1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol has a molecular weight of 282.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 132579460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).