3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol

C15H20O2 — CID 114715175

IUPAC3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCc1ccc2c(c1)C(O)CC1(CCC(C)C1)O2
InChIInChI=1S/C15H20O2/c1-10-3-4-14-12(7-10)13(16)9-15(17-14)6-5-11(2)8-15/h3-4,7,11,13,16H,5-6,8-9H2,1-2H3
InChIKeyPZXYDXABIQDPOC-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.37
Rot. Bonds

About 3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol

3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (PubChem CID 114715175) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.

Molecular Properties

Compound Name3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
PubChem CID114715175
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
SMILESCc1ccc2c(c1)C(O)CC1(CCC(C)C1)O2
InChIInChI=1S/C15H20O2/c1-10-3-4-14-12(7-10)13(16)9-15(17-14)6-5-11(2)8-15/h3-4,7,11,13,16H,5-6,8-9H2,1-2H3
InChIKeyPZXYDXABIQDPOC-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715070
(4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 104950482
(4R)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950407
6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715200
N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712701
6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715652
(4R)-6-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951521
(4R)-2',4',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950429
7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714735
(4S)-1'-cyclopropyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
CID 104950590
(4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825056
(4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950467

Frequently Asked Questions

What is the IUPAC name of 3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The IUPAC name of 3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol (CID 114715175) is 3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol.
What is the SMILES notation for 3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The canonical SMILES for 3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is Cc1ccc2c(c1)C(O)CC1(CCC(C)C1)O2.
What is the InChIKey of 3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
The InChIKey is PZXYDXABIQDPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-3-4-14-12(7-10)13(16)9-15(17-14)6-5-11(2)8-15/h3-4,7,11,13,16H,5-6,8-9H2,1-2H3.
What are the key properties of 3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol?
3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol has a molecular weight of 232.32 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol is sourced from PubChem (CID 114715175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).