1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol

C21H16O2 — CID 15213459

IUPAC1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1Cc1ccc2ccccc2c1O
InChIInChI=1S/C21H16O2/c22-20-12-11-14-5-1-3-7-17(14)19(20)13-16-10-9-15-6-2-4-8-18(15)21(16)23/h1-12,22-23H,13H2
InChIKeyMIXPESTYFOLZAY-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.99
Rot. Bonds2

About 1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol

1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol (PubChem CID 15213459) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
PubChem CID15213459
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1Cc1ccc2ccccc2c1O
InChIInChI=1S/C21H16O2/c22-20-12-11-14-5-1-3-7-17(14)19(20)13-16-10-9-15-6-2-4-8-18(15)21(16)23/h1-12,22-23H,13H2
InChIKeyMIXPESTYFOLZAY-UHFFFAOYSA-N
XLogP4.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol
CID 71342974
2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
2-(naphthalen-2-ylmethyl)naphthalen-1-ol
CID 14854909
2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol
CID 175235965
1-[[2-hydroxy-5-[9-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]fluoren-9-yl]-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol
CID 138492957
benzoic acid;1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 69303961
2-[(4-bromophenyl)methyl]naphthalen-1-ol
CID 15617869
naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
1-(2-hydroxyethyl)naphthalen-2-ol
CID 19602212
2-[(2-methoxyphenyl)methyl]naphthalen-1-ol
CID 15617840
8-[(2-hydroxynaphthalen-1-yl)methyl]quinolin-7-ol
CID 166589880
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)naphthalen-2-ol;hydrochloride
CID 66855717

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol (CID 15213459) is 1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1Cc1ccc2ccccc2c1O.
What is the InChIKey of 1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol?
The InChIKey is MIXPESTYFOLZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c22-20-12-11-14-5-1-3-7-17(14)19(20)13-16-10-9-15-6-2-4-8-18(15)21(16)23/h1-12,22-23H,13H2.
What are the key properties of 1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol?
1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol has a molecular weight of 300.36 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 15213459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).