(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol

C18H26O3 — CID 104950848

IUPAC(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESCCC1CCCC2(CC1)C[C@H](O)c1cc(OC)ccc1O2
InChIInChI=1S/C18H26O3/c1-3-13-5-4-9-18(10-8-13)12-16(19)15-11-14(20-2)6-7-17(15)21-18/h6-7,11,13,16,19H,3-5,8-10,12H2,1-2H3/t13?,16-,18?/m0/s1
InChIKeyUHLAIIWVYGBSJR-MNQCNDSGSA-N
MW290.40 g/mol
LogP4.24
Rot. Bonds2

About (4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol

(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (PubChem CID 104950848) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.

Molecular Properties

Compound Name(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
PubChem CID104950848
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESCCC1CCCC2(CC1)C[C@H](O)c1cc(OC)ccc1O2
InChIInChI=1S/C18H26O3/c1-3-13-5-4-9-18(10-8-13)12-16(19)15-11-14(20-2)6-7-17(15)21-18/h6-7,11,13,16,19H,3-5,8-10,12H2,1-2H3/t13?,16-,18?/m0/s1
InChIKeyUHLAIIWVYGBSJR-MNQCNDSGSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol with MolForge

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Related Compounds

(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 114715617
(4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948654
(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950824
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714399
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114715390
2'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114715432
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250
(4S)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951256
(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951482
(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104950732

Frequently Asked Questions

What is the IUPAC name of (4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The IUPAC name of (4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (CID 104950848) is (4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.
What is the SMILES notation for (4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The canonical SMILES for (4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is CCC1CCCC2(CC1)C[C@H](O)c1cc(OC)ccc1O2.
What is the InChIKey of (4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The InChIKey is UHLAIIWVYGBSJR-MNQCNDSGSA-N. The full InChI is InChI=1S/C18H26O3/c1-3-13-5-4-9-18(10-8-13)12-16(19)15-11-14(20-2)6-7-17(15)21-18/h6-7,11,13,16,19H,3-5,8-10,12H2,1-2H3/t13?,16-,18?/m0/s1.
What are the key properties of (4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol has a molecular weight of 290.40 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is sourced from PubChem (CID 104950848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).