naphthalene;naphthalen-1-ol

C30H24O — CID 174561564

IUPACnaphthalene;naphthalen-1-ol
SMILESOc1cccc2ccccc12.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8O.2C10H8/c11-10-7-3-5-8-4-1-2-6-9(8)10;2*1-2-6-10-8-4-3-7-9(10)5-1/h1-7,11H;2*1-8H
InChIKeyZXCBOOSSFDIEMK-UHFFFAOYSA-N
MW400.52 g/mol
LogP8.23
Rot. Bonds

About naphthalene;naphthalen-1-ol

naphthalene;naphthalen-1-ol (PubChem CID 174561564) has the molecular formula C30H24O and a molecular weight of 400.52 g/mol. Its IUPAC name is naphthalene;naphthalen-1-ol.

Molecular Properties

Compound Namenaphthalene;naphthalen-1-ol
PubChem CID174561564
Molecular FormulaC30H24O
Molecular Weight400.52 g/mol
Exact Mass400.18
IUPAC Namenaphthalene;naphthalen-1-ol
SMILESOc1cccc2ccccc12.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8O.2C10H8/c11-10-7-3-5-8-4-1-2-6-9(8)10;2*1-2-6-10-8-4-3-7-9(10)5-1/h1-7,11H;2*1-8H
InChIKeyZXCBOOSSFDIEMK-UHFFFAOYSA-N
XLogP8.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of naphthalene;naphthalen-1-ol?
The IUPAC name of naphthalene;naphthalen-1-ol (CID 174561564) is naphthalene;naphthalen-1-ol.
What is the SMILES notation for naphthalene;naphthalen-1-ol?
The canonical SMILES for naphthalene;naphthalen-1-ol is Oc1cccc2ccccc12.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;naphthalen-1-ol?
The InChIKey is ZXCBOOSSFDIEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.2C10H8/c11-10-7-3-5-8-4-1-2-6-9(8)10;2*1-2-6-10-8-4-3-7-9(10)5-1/h1-7,11H;2*1-8H.
What are the key properties of naphthalene;naphthalen-1-ol?
naphthalene;naphthalen-1-ol has a molecular weight of 400.52 g/mol, XLogP of 8.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;naphthalen-1-ol is sourced from PubChem (CID 174561564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).