2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol

C26H26O — CID 53230822

IUPAC2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol
SMILESCc1ccc(CC2(/C=C/c3ccccc3)CCc3ccccc3C2O)cc1
InChIInChI=1S/C26H26O/c1-20-11-13-22(14-12-20)19-26(17-15-21-7-3-2-4-8-21)18-16-23-9-5-6-10-24(23)25(26)27/h2-15,17,25,27H,16,18-19H2,1H3/b17-15+
InChIKeyGOQBRVPIIFWKRS-BMRADRMJSA-N
MW354.49 g/mol
LogP5.92
Rot. Bonds4

About 2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol

2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol (PubChem CID 53230822) has the molecular formula C26H26O and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol
PubChem CID53230822
Molecular FormulaC26H26O
Molecular Weight354.49 g/mol
Exact Mass354.20
IUPAC Name2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol
SMILESCc1ccc(CC2(/C=C/c3ccccc3)CCc3ccccc3C2O)cc1
InChIInChI=1S/C26H26O/c1-20-11-13-22(14-12-20)19-26(17-15-21-7-3-2-4-8-21)18-16-23-9-5-6-10-24(23)25(26)27/h2-15,17,25,27H,16,18-19H2,1H3/b17-15+
InChIKeyGOQBRVPIIFWKRS-BMRADRMJSA-N
XLogP5.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol?
The IUPAC name of 2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol (CID 53230822) is 2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol is Cc1ccc(CC2(/C=C/c3ccccc3)CCc3ccccc3C2O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol?
The InChIKey is GOQBRVPIIFWKRS-BMRADRMJSA-N. The full InChI is InChI=1S/C26H26O/c1-20-11-13-22(14-12-20)19-26(17-15-21-7-3-2-4-8-21)18-16-23-9-5-6-10-24(23)25(26)27/h2-15,17,25,27H,16,18-19H2,1H3/b17-15+.
What are the key properties of 2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol?
2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol has a molecular weight of 354.49 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-2-[(E)-2-phenylethenyl]-3,4-dihydro-1H-naphthalen-1-ol is sourced from PubChem (CID 53230822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).