5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol

C14H17ClO2 — CID 11708628

IUPAC5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
SMILESCc1c(C)c2c(c(Cl)c1O)CCC1(CCC1)O2
InChIInChI=1S/C14H17ClO2/c1-8-9(2)13-10(11(15)12(8)16)4-7-14(17-13)5-3-6-14/h16H,3-7H2,1-2H3
InChIKeyJQIDLWCOBSHMHE-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.91
Rot. Bonds

About 5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol

5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol (PubChem CID 11708628) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol.

Molecular Properties

Compound Name5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
PubChem CID11708628
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
SMILESCc1c(C)c2c(c(Cl)c1O)CCC1(CCC1)O2
InChIInChI=1S/C14H17ClO2/c1-8-9(2)13-10(11(15)12(8)16)4-7-14(17-13)5-3-6-14/h16H,3-7H2,1-2H3
InChIKeyJQIDLWCOBSHMHE-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
The IUPAC name of 5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol (CID 11708628) is 5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol.
What is the SMILES notation for 5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
The canonical SMILES for 5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol is Cc1c(C)c2c(c(Cl)c1O)CCC1(CCC1)O2.
What is the InChIKey of 5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
The InChIKey is JQIDLWCOBSHMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-8-9(2)13-10(11(15)12(8)16)4-7-14(17-13)5-3-6-14/h16H,3-7H2,1-2H3.
What are the key properties of 5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?
5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol has a molecular weight of 252.74 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol is sourced from PubChem (CID 11708628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).