7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol

C10H11ClO — CID 163979066

IUPAC7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol
SMILESCC1CCc2c(Cl)ccc(O)c21
InChIInChI=1S/C10H11ClO/c1-6-2-3-7-8(11)4-5-9(12)10(6)7/h4-6,12H,2-3H2,1H3
InChIKeySWTIXVUJOFELOV-UHFFFAOYSA-N
MW182.65 g/mol
LogP3.10
Rot. Bonds

About 7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol

7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 163979066) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol
PubChem CID163979066
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol
SMILESCC1CCc2c(Cl)ccc(O)c21
InChIInChI=1S/C10H11ClO/c1-6-2-3-7-8(11)4-5-9(12)10(6)7/h4-6,12H,2-3H2,1H3
InChIKeySWTIXVUJOFELOV-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol (CID 163979066) is 7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol is CC1CCc2c(Cl)ccc(O)c21.
What is the InChIKey of 7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is SWTIXVUJOFELOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-6-2-3-7-8(11)4-5-9(12)10(6)7/h4-6,12H,2-3H2,1H3.
What are the key properties of 7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol?
7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 182.65 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 163979066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).