3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol

C12H15ClO — CID 175142073

IUPAC3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
SMILESCC1(C)CCCc2cc(O)c(Cl)cc21
InChIInChI=1S/C12H15ClO/c1-12(2)5-3-4-8-6-11(14)10(13)7-9(8)12/h6-7,14H,3-5H2,1-2H3
InChIKeyGQCDHAXNSSZFHH-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.66
Rot. Bonds

About 3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol

3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol (PubChem CID 175142073) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol.

Molecular Properties

Compound Name3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
PubChem CID175142073
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
SMILESCC1(C)CCCc2cc(O)c(Cl)cc21
InChIInChI=1S/C12H15ClO/c1-12(2)5-3-4-8-6-11(14)10(13)7-9(8)12/h6-7,14H,3-5H2,1-2H3
InChIKeyGQCDHAXNSSZFHH-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol?
The IUPAC name of 3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol (CID 175142073) is 3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol.
What is the SMILES notation for 3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol?
The canonical SMILES for 3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol is CC1(C)CCCc2cc(O)c(Cl)cc21.
What is the InChIKey of 3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol?
The InChIKey is GQCDHAXNSSZFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-12(2)5-3-4-8-6-11(14)10(13)7-9(8)12/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol?
3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol has a molecular weight of 210.70 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol is sourced from PubChem (CID 175142073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).