(1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol

C23H18O2 — CID 102499485

IUPAC(1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol
SMILESCOc1ccc2c(C#C[C@H]3C=Cc4ccccc4[C@H]3O)cccc2c1
InChIInChI=1S/C23H18O2/c1-25-20-13-14-21-16(6-4-7-19(21)15-20)9-11-18-12-10-17-5-2-3-8-22(17)23(18)24/h2-8,10,12-15,18,23-24H,1H3/t18-,23-/m0/s1
InChIKeyZKFHTLBJZWGTOU-MBSDFSHPSA-N
MW326.40 g/mol
LogP4.58
Rot. Bonds1

About (1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol

(1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol (PubChem CID 102499485) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol
PubChem CID102499485
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name(1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol
SMILESCOc1ccc2c(C#C[C@H]3C=Cc4ccccc4[C@H]3O)cccc2c1
InChIInChI=1S/C23H18O2/c1-25-20-13-14-21-16(6-4-7-19(21)15-20)9-11-18-12-10-17-5-2-3-8-22(17)23(18)24/h2-8,10,12-15,18,23-24H,1H3/t18-,23-/m0/s1
InChIKeyZKFHTLBJZWGTOU-MBSDFSHPSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,10-bis[2-(6-methoxynaphthalen-1-yl)ethynyl]anthracene
CID 131997735
2-[2-(4-chlorophenyl)ethynyl]-1,2-dihydronaphthalen-1-ol
CID 71666847
(1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol
CID 15402081
(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol
CID 101177740
1-[2-(4-methoxyphenyl)ethynyl]anthracene
CID 12635754
(1S,2S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2-dihydronaphthalen-1-ol
CID 102041489
ethane;10-[2-(6-methoxynaphthalen-1-yl)ethynyl]-N-methyl-9-[2-(6-methylnaphthalen-1-yl)ethynyl]anthracen-2-amine
CID 142605990
dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene
CID 174442019
1-[bis(4-methoxyphenyl)methyl]-1H-indene
CID 122215297
(6-methoxynaphthalen-1-yl) acetate
CID 11424471
2-methoxy-6-methylnaphthalene;9-methyl-9H-fluorene;1-methyl-1H-indene;1-methylnaphthalene;2-methylnaphthalene
CID 160537374
1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene
CID 15498615

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol (CID 102499485) is (1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol is COc1ccc2c(C#C[C@H]3C=Cc4ccccc4[C@H]3O)cccc2c1.
What is the InChIKey of (1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol?
The InChIKey is ZKFHTLBJZWGTOU-MBSDFSHPSA-N. The full InChI is InChI=1S/C23H18O2/c1-25-20-13-14-21-16(6-4-7-19(21)15-20)9-11-18-12-10-17-5-2-3-8-22(17)23(18)24/h2-8,10,12-15,18,23-24H,1H3/t18-,23-/m0/s1.
What are the key properties of (1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol?
(1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol has a molecular weight of 326.40 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[2-(6-methoxynaphthalen-1-yl)ethynyl]-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 102499485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).