4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol

C17H24O2 — CID 15490498

IUPAC4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol
SMILESCc1c(C)c2c(c(C)c1O)CC1(CCCCCC1)O2
InChIInChI=1S/C17H24O2/c1-11-12(2)16-14(13(3)15(11)18)10-17(19-16)8-6-4-5-7-9-17/h18H,4-10H2,1-3H3
InChIKeyRSCVOLKEYMCKRE-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.35
Rot. Bonds

About 4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol

4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol (PubChem CID 15490498) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol.

Molecular Properties

Compound Name4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol
PubChem CID15490498
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol
SMILESCc1c(C)c2c(c(C)c1O)CC1(CCCCCC1)O2
InChIInChI=1S/C17H24O2/c1-11-12(2)16-14(13(3)15(11)18)10-17(19-16)8-6-4-5-7-9-17/h18H,4-10H2,1-3H3
InChIKeyRSCVOLKEYMCKRE-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7,8-trimethylspiro[3,4-dihydrochromene-2,3'-oxetane]-6-ol
CID 11543196
5-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
CID 143245676
5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol
CID 69055305
2-(5-hydroxy-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)acetonitrile
CID 15086720
2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol
CID 15024206
1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
CID 10085530
1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone
CID 59879197
(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 59125262
2,5,7,8-tetramethyl-2-(2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-3,4-dihydrochromen-6-ol
CID 69454131
4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde
CID 14639093
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one
CID 72523898
4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
CID 69053956

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol?
The IUPAC name of 4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol (CID 15490498) is 4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol.
What is the SMILES notation for 4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol?
The canonical SMILES for 4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol is Cc1c(C)c2c(c(C)c1O)CC1(CCCCCC1)O2.
What is the InChIKey of 4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol?
The InChIKey is RSCVOLKEYMCKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-11-12(2)16-14(13(3)15(11)18)10-17(19-16)8-6-4-5-7-9-17/h18H,4-10H2,1-3H3.
What are the key properties of 4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol?
4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol has a molecular weight of 260.38 g/mol, XLogP of 4.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol is sourced from PubChem (CID 15490498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).