(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C18H26O3 — CID 104950824

IUPAC(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCOc1ccc2c(c1)[C@@H](O)CC1(CCC(C(C)C)CC1)O2
InChIInChI=1S/C18H26O3/c1-12(2)13-6-8-18(9-7-13)11-16(19)15-10-14(20-3)4-5-17(15)21-18/h4-5,10,12-13,16,19H,6-9,11H2,1-3H3/t13?,16-,18?/m0/s1
InChIKeyVHEDBNKXSPHLIK-MNQCNDSGSA-N
MW290.40 g/mol
LogP4.10
Rot. Bonds2

About (4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 104950824) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID104950824
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCOc1ccc2c(c1)[C@@H](O)CC1(CCC(C(C)C)CC1)O2
InChIInChI=1S/C18H26O3/c1-12(2)13-6-8-18(9-7-13)11-16(19)15-10-14(20-3)4-5-17(15)21-18/h4-5,10,12-13,16,19H,6-9,11H2,1-3H3/t13?,16-,18?/m0/s1
InChIKeyVHEDBNKXSPHLIK-MNQCNDSGSA-N
XLogP4.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol with MolForge

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Related Compounds

(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250
(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950848
6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 114715358
(4R)-6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 104950989
(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825058
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114715390
(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104950732
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104950800
6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 114715296

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of (4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 104950824) is (4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for (4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for (4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is COc1ccc2c(c1)[C@@H](O)CC1(CCC(C(C)C)CC1)O2.
What is the InChIKey of (4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is VHEDBNKXSPHLIK-MNQCNDSGSA-N. The full InChI is InChI=1S/C18H26O3/c1-12(2)13-6-8-18(9-7-13)11-16(19)15-10-14(20-3)4-5-17(15)21-18/h4-5,10,12-13,16,19H,6-9,11H2,1-3H3/t13?,16-,18?/m0/s1.
What are the key properties of (4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 290.40 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 104950824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).