(1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

C11H13ClO — CID 115417859

IUPAC(1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC[C@H](O)c2cc(Cl)ccc21
InChIInChI=1S/C11H13ClO/c1-7-2-5-11(13)10-6-8(12)3-4-9(7)10/h3-4,6-7,11,13H,2,5H2,1H3/t7?,11-/m0/s1
InChIKeyALPHUDNPWASJLT-QRIDDKLISA-N
MW196.68 g/mol
LogP3.27
Rot. Bonds

About (1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

(1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115417859) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is (1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115417859
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name(1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC[C@H](O)c2cc(Cl)ccc21
InChIInChI=1S/C11H13ClO/c1-7-2-5-11(13)10-6-8(12)3-4-9(7)10/h3-4,6-7,11,13H,2,5H2,1H3/t7?,11-/m0/s1
InChIKeyALPHUDNPWASJLT-QRIDDKLISA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115417859) is (1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is CC1CC[C@H](O)c2cc(Cl)ccc21.
What is the InChIKey of (1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is ALPHUDNPWASJLT-QRIDDKLISA-N. The full InChI is InChI=1S/C11H13ClO/c1-7-2-5-11(13)10-6-8(12)3-4-9(7)10/h3-4,6-7,11,13H,2,5H2,1H3/t7?,11-/m0/s1.
What are the key properties of (1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 196.68 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115417859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).