(2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol

C14H18O — CID 58380254

IUPAC(2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol
SMILESC[C@H]1C[C@]12CCCCc1ccc(O)cc12
InChIInChI=1S/C14H18O/c1-10-9-14(10)7-3-2-4-11-5-6-12(15)8-13(11)14/h5-6,8,10,15H,2-4,7,9H2,1H3/t10-,14+/m0/s1
InChIKeySXFNEZYAXRQSPV-IINYFYTJSA-N
MW202.30 g/mol
LogP3.40
Rot. Bonds

About (2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol

(2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol (PubChem CID 58380254) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol.

Molecular Properties

Compound Name(2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol
PubChem CID58380254
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol
SMILESC[C@H]1C[C@]12CCCCc1ccc(O)cc12
InChIInChI=1S/C14H18O/c1-10-9-14(10)7-3-2-4-11-5-6-12(15)8-13(11)14/h5-6,8,10,15H,2-4,7,9H2,1H3/t10-,14+/m0/s1
InChIKeySXFNEZYAXRQSPV-IINYFYTJSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol with MolForge

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Related Compounds

(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 89082538
methanol;2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 143977527
methyl (1'S,5R)-3-hydroxyspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-carboxylate
CID 143977595
(2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol
CID 143977501
(1'R,4S)-6-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carbonitrile
CID 58380154
methyl (1'S)-6-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate
CID 143977583
2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
CID 115057296
methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
CID 58379700
2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 68638275
3-(aminomethyl)-3-methyl-1,2-dihydroinden-5-ol
CID 84717952
(1S,9S,10R)-17-propyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 6916720
ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
CID 58379899

Frequently Asked Questions

What is the IUPAC name of (2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol?
The IUPAC name of (2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol (CID 58380254) is (2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol.
What is the SMILES notation for (2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol?
The canonical SMILES for (2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol is C[C@H]1C[C@]12CCCCc1ccc(O)cc12.
What is the InChIKey of (2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol?
The InChIKey is SXFNEZYAXRQSPV-IINYFYTJSA-N. The full InChI is InChI=1S/C14H18O/c1-10-9-14(10)7-3-2-4-11-5-6-12(15)8-13(11)14/h5-6,8,10,15H,2-4,7,9H2,1H3/t10-,14+/m0/s1.
What are the key properties of (2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol?
(2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol has a molecular weight of 202.30 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol is sourced from PubChem (CID 58380254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).