(4-chloronaphthalen-1-yl)methanol

C11H9ClO — CID 12749144

IUPAC(4-chloronaphthalen-1-yl)methanol
SMILESOCc1ccc(Cl)c2ccccc12
InChIInChI=1S/C11H9ClO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6,13H,7H2
InChIKeyYJGYJNTZRNCUIG-UHFFFAOYSA-N
MW192.64 g/mol
LogP2.99
Rot. Bonds1

About (4-chloronaphthalen-1-yl)methanol

(4-chloronaphthalen-1-yl)methanol (PubChem CID 12749144) has the molecular formula C11H9ClO and a molecular weight of 192.64 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)methanol
PubChem CID12749144
Molecular FormulaC11H9ClO
Molecular Weight192.64 g/mol
Exact Mass192.03
IUPAC Name(4-chloronaphthalen-1-yl)methanol
SMILESOCc1ccc(Cl)c2ccccc12
InChIInChI=1S/C11H9ClO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6,13H,7H2
InChIKeyYJGYJNTZRNCUIG-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.64
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)methanol?
The IUPAC name of (4-chloronaphthalen-1-yl)methanol (CID 12749144) is (4-chloronaphthalen-1-yl)methanol.
What is the SMILES notation for (4-chloronaphthalen-1-yl)methanol?
The canonical SMILES for (4-chloronaphthalen-1-yl)methanol is OCc1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloronaphthalen-1-yl)methanol?
The InChIKey is YJGYJNTZRNCUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6,13H,7H2.
What are the key properties of (4-chloronaphthalen-1-yl)methanol?
(4-chloronaphthalen-1-yl)methanol has a molecular weight of 192.64 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)methanol is sourced from PubChem (CID 12749144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).