2-(naphthalen-1-ylmethyl)naphthalen-1-ol

C21H16O — CID 15617878

IUPAC2-(naphthalen-1-ylmethyl)naphthalen-1-ol
SMILESOc1c(Cc2cccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C21H16O/c22-21-18(13-12-16-7-2-4-11-20(16)21)14-17-9-5-8-15-6-1-3-10-19(15)17/h1-13,22H,14H2
InChIKeyUFJXPIWXXOWJOY-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.29
Rot. Bonds2

About 2-(naphthalen-1-ylmethyl)naphthalen-1-ol

2-(naphthalen-1-ylmethyl)naphthalen-1-ol (PubChem CID 15617878) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)naphthalen-1-ol
PubChem CID15617878
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name2-(naphthalen-1-ylmethyl)naphthalen-1-ol
SMILESOc1c(Cc2cccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C21H16O/c22-21-18(13-12-16-7-2-4-11-20(16)21)14-17-9-5-8-15-6-1-3-10-19(15)17/h1-13,22H,14H2
InChIKeyUFJXPIWXXOWJOY-UHFFFAOYSA-N
XLogP5.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol
CID 71342974
CID 66760372
CID 66760372
2-[(2-methoxyphenyl)methyl]naphthalen-1-ol
CID 15617840
1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
CID 15213459
2-(naphthalen-2-ylmethyl)naphthalen-1-ol
CID 14854909
2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol
CID 175235965
2-[(4-bromophenyl)methyl]naphthalen-1-ol
CID 15617869
2-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(1-hydroxynaphthalen-2-yl)methyl]phenyl]propan-2-yl]-3-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol
CID 129291813
1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene
CID 123365008
2-(1-hydroxynaphthalen-2-yl)acetamide;hydrochloride
CID 161067432
5-(naphthalen-1-ylmethyl)benzene-1,3-diol
CID 10658318
2-(cyclohexylmethyl)naphthalen-1-ol
CID 15617835

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)naphthalen-1-ol?
The IUPAC name of 2-(naphthalen-1-ylmethyl)naphthalen-1-ol (CID 15617878) is 2-(naphthalen-1-ylmethyl)naphthalen-1-ol.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)naphthalen-1-ol?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)naphthalen-1-ol is Oc1c(Cc2cccc3ccccc23)ccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)naphthalen-1-ol?
The InChIKey is UFJXPIWXXOWJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c22-21-18(13-12-16-7-2-4-11-20(16)21)14-17-9-5-8-15-6-1-3-10-19(15)17/h1-13,22H,14H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)naphthalen-1-ol?
2-(naphthalen-1-ylmethyl)naphthalen-1-ol has a molecular weight of 284.36 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)naphthalen-1-ol is sourced from PubChem (CID 15617878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).