4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol

C21H18O2 — CID 146003588

IUPAC4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol
SMILESCOc1ccc2cc(C#CC(C)(O)c3ccccc3)ccc2c1
InChIInChI=1S/C21H18O2/c1-21(22,19-6-4-3-5-7-19)13-12-16-8-9-18-15-20(23-2)11-10-17(18)14-16/h3-11,14-15,22H,1-2H3
InChIKeyLBDOVMRQSCNABW-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.11
Rot. Bonds2

About 4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol

4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol (PubChem CID 146003588) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol
PubChem CID146003588
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol
SMILESCOc1ccc2cc(C#CC(C)(O)c3ccccc3)ccc2c1
InChIInChI=1S/C21H18O2/c1-21(22,19-6-4-3-5-7-19)13-12-16-8-9-18-15-20(23-2)11-10-17(18)14-16/h3-11,14-15,22H,1-2H3
InChIKeyLBDOVMRQSCNABW-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-phenylbut-3-yn-2-ol
CID 146003165
4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine
CID 63996890
bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
(2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol
CID 40500418
1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
CID 2931271
1,1,1-trifluoro-4-(4-methoxyphenyl)-2-phenylbut-3-yn-2-ol
CID 132570179
1-(6-methoxynaphthalen-2-yl)-3-methylnon-1-yn-3-ol
CID 146003590
4-(3-chloro-4-fluorophenyl)-2-phenylbut-3-yn-2-ol
CID 146002834
1,5-bis(4-methoxyphenyl)-3-methylpenta-1,4-diyn-3-ol
CID 139242349
4-(4-methylsulfanylphenyl)-2-phenylbut-3-yn-2-ol
CID 146003701
2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene
CID 67211942
(2S)-4-(4-methoxyphenyl)-2-pyridin-2-ylbut-3-yn-2-ol
CID 102473225

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol (CID 146003588) is 4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol is COc1ccc2cc(C#CC(C)(O)c3ccccc3)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol?
The InChIKey is LBDOVMRQSCNABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-21(22,19-6-4-3-5-7-19)13-12-16-8-9-18-15-20(23-2)11-10-17(18)14-16/h3-11,14-15,22H,1-2H3.
What are the key properties of 4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol?
4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol has a molecular weight of 302.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol is sourced from PubChem (CID 146003588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).