5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol

C11H13ClO — CID 115020894

IUPAC5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1(O)CCCc2c(Cl)cccc21
InChIInChI=1S/C11H13ClO/c1-11(13)7-3-4-8-9(11)5-2-6-10(8)12/h2,5-6,13H,3-4,7H2,1H3
InChIKeyVHVWFZVIBKEYQQ-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.88
Rot. Bonds

About 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol

5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 115020894) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID115020894
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC1(O)CCCc2c(Cl)cccc21
InChIInChI=1S/C11H13ClO/c1-11(13)7-3-4-8-9(11)5-2-6-10(8)12/h2,5-6,13H,3-4,7H2,1H3
InChIKeyVHVWFZVIBKEYQQ-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol (CID 115020894) is 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol is CC1(O)CCCc2c(Cl)cccc21.
What is the InChIKey of 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is VHVWFZVIBKEYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-11(13)7-3-4-8-9(11)5-2-6-10(8)12/h2,5-6,13H,3-4,7H2,1H3.
What are the key properties of 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol?
5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 196.68 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 115020894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).