[8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol

C22H18O2 — CID 12507693

IUPAC[8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol
SMILESOCc1cccc2cccc(-c3cccc4cccc(CO)c34)c12
InChIInChI=1S/C22H18O2/c23-13-17-9-1-5-15-7-3-11-19(21(15)17)20-12-4-8-16-6-2-10-18(14-24)22(16)20/h1-12,23-24H,13-14H2
InChIKeyLYHLAUZIMDAWBN-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.64
Rot. Bonds3

About [8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol

[8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol (PubChem CID 12507693) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is [8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol
PubChem CID12507693
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name[8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol
SMILESOCc1cccc2cccc(-c3cccc4cccc(CO)c34)c12
InChIInChI=1S/C22H18O2/c23-13-17-9-1-5-15-7-3-11-19(21(15)17)20-12-4-8-16-6-2-10-18(14-24)22(16)20/h1-12,23-24H,13-14H2
InChIKeyLYHLAUZIMDAWBN-UHFFFAOYSA-N
XLogP4.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(8-ethylnaphthalen-1-yl)methanol
CID 59514335
(8-aminonaphthalen-1-yl)methanol
CID 118807853
[8-(difluoromethyl)naphthalen-1-yl]methanol
CID 118847242
(8-pentylnaphthalen-1-yl)methanol
CID 101074092
[2-(acenaphthyleno[2,1-b]thiophen-8-ylmethyl)phenyl]methanol
CID 15091370
N-[[8-(hydroxymethyl)naphthalen-1-yl]methyl]acetamide
CID 59694936
fluoranthene
CID 139203734
ethane-1,2-diol;perylene
CID 87614452
[9-(hydroxymethyl)acenaphthyleno[1,2-c]thiophen-7-yl]methanol
CID 44597704
2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol
CID 87369855
[8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol
CID 10974819
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166

Frequently Asked Questions

What is the IUPAC name of [8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol?
The IUPAC name of [8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol (CID 12507693) is [8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol.
What is the SMILES notation for [8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol?
The canonical SMILES for [8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol is OCc1cccc2cccc(-c3cccc4cccc(CO)c34)c12.
What is the InChIKey of [8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol?
The InChIKey is LYHLAUZIMDAWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c23-13-17-9-1-5-15-7-3-11-19(21(15)17)20-12-4-8-16-6-2-10-18(14-24)22(16)20/h1-12,23-24H,13-14H2.
What are the key properties of [8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol?
[8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol has a molecular weight of 314.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol is sourced from PubChem (CID 12507693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).