(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol

C18H25BrO2 — CID 104951482

IUPAC(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESCCCC1CCCC2(CC1)C[C@@H](O)c1cc(Br)ccc1O2
InChIInChI=1S/C18H25BrO2/c1-2-4-13-5-3-9-18(10-8-13)12-16(20)15-11-14(19)6-7-17(15)21-18/h6-7,11,13,16,20H,2-5,8-10,12H2,1H3/t13?,16-,18?/m1/s1
InChIKeyISLLSZYJXCSBHH-CRPOECCBSA-N
MW353.30 g/mol
LogP5.38
Rot. Bonds2

About (4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol

(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (PubChem CID 104951482) has the molecular formula C18H25BrO2 and a molecular weight of 353.30 g/mol. Its IUPAC name is (4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.

Molecular Properties

Compound Name(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
PubChem CID104951482
Molecular FormulaC18H25BrO2
Molecular Weight353.30 g/mol
Exact Mass352.10
IUPAC Name(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESCCCC1CCCC2(CC1)C[C@@H](O)c1cc(Br)ccc1O2
InChIInChI=1S/C18H25BrO2/c1-2-4-13-5-3-9-18(10-8-13)12-16(20)15-11-14(19)6-7-17(15)21-18/h6-7,11,13,16,20H,2-5,8-10,12H2,1H3/t13?,16-,18?/m1/s1
InChIKeyISLLSZYJXCSBHH-CRPOECCBSA-N
XLogP5.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.30
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol with MolForge

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Related Compounds

(4S)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951256
6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715550
6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 114715617
(4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949941
(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951385
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
6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713221
6-bromospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
CID 114715532
6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450779
(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951278
(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950848

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The IUPAC name of (4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (CID 104951482) is (4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.
What is the SMILES notation for (4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The canonical SMILES for (4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is CCCC1CCCC2(CC1)C[C@@H](O)c1cc(Br)ccc1O2.
What is the InChIKey of (4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The InChIKey is ISLLSZYJXCSBHH-CRPOECCBSA-N. The full InChI is InChI=1S/C18H25BrO2/c1-2-4-13-5-3-9-18(10-8-13)12-16(20)15-11-14(19)6-7-17(15)21-18/h6-7,11,13,16,20H,2-5,8-10,12H2,1H3/t13?,16-,18?/m1/s1.
What are the key properties of (4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol has a molecular weight of 353.30 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is sourced from PubChem (CID 104951482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).