1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol

C20H18O — CID 91678699

IUPAC1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C20H18O/c1-13-5-7-16(8-6-13)20(21)18-12-11-15-10-9-14-3-2-4-17(18)19(14)15/h2-8,11-12,20-21H,9-10H2,1H3
InChIKeyVWSJUYXLPCVXJZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.33
Rot. Bonds2

About 1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol

1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol (PubChem CID 91678699) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol
PubChem CID91678699
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C20H18O/c1-13-5-7-16(8-6-13)20(21)18-12-11-15-10-9-14-3-2-4-17(18)19(14)15/h2-8,11-12,20-21H,9-10H2,1H3
InChIKeyVWSJUYXLPCVXJZ-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 91678718
(R)-(2-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 99707210
(5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 114939575
1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol
CID 114939555
1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol
CID 114939531
1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 114939506
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine
CID 114939280
4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran
CID 114939661
(S)-(2-aminophenyl)-(4-methylphenyl)methanol
CID 40526253
4-(1,2-dihydroacenaphthylen-5-yl)-3,4-dihydroxybutanenitrile
CID 171901902
(R)-acenaphthylen-5-yl(phenyl)methanol
CID 95363858
2-cyclohexyl-1-(1,2-dihydroacenaphthylen-5-yl)ethanol
CID 114939571

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol?
The IUPAC name of 1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol (CID 91678699) is 1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol.
What is the SMILES notation for 1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol?
The canonical SMILES for 1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol is Cc1ccc(C(O)c2ccc3c4c(cccc24)CC3)cc1.
What is the InChIKey of 1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol?
The InChIKey is VWSJUYXLPCVXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-13-5-7-16(8-6-13)20(21)18-12-11-15-10-9-14-3-2-4-17(18)19(14)15/h2-8,11-12,20-21H,9-10H2,1H3.
What are the key properties of 1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol?
1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol has a molecular weight of 274.36 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol is sourced from PubChem (CID 91678699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).