2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol

C18H18O3 — CID 87732377

IUPAC2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol
SMILESOCc1ccc2c(c1)C=CC(CO)(c1ccccc1O)C2
InChIInChI=1S/C18H18O3/c19-11-13-5-6-15-10-18(12-20,8-7-14(15)9-13)16-3-1-2-4-17(16)21/h1-9,19-21H,10-12H2
InChIKeyKFGOUPOBMRGNTM-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.38
Rot. Bonds3

About 2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol

2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol (PubChem CID 87732377) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol.

Molecular Properties

Compound Name2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol
PubChem CID87732377
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol
SMILESOCc1ccc2c(c1)C=CC(CO)(c1ccccc1O)C2
InChIInChI=1S/C18H18O3/c19-11-13-5-6-15-10-18(12-20,8-7-14(15)9-13)16-3-1-2-4-17(16)21/h1-9,19-21H,10-12H2
InChIKeyKFGOUPOBMRGNTM-UHFFFAOYSA-N
XLogP2.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol?
The IUPAC name of 2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol (CID 87732377) is 2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol.
What is the SMILES notation for 2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol?
The canonical SMILES for 2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol is OCc1ccc2c(c1)C=CC(CO)(c1ccccc1O)C2.
What is the InChIKey of 2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol?
The InChIKey is KFGOUPOBMRGNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-11-13-5-6-15-10-18(12-20,8-7-14(15)9-13)16-3-1-2-4-17(16)21/h1-9,19-21H,10-12H2.
What are the key properties of 2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol?
2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol has a molecular weight of 282.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol is sourced from PubChem (CID 87732377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).