(4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol

C18H26O2 — CID 104949941

IUPAC(4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESCCCC1CCCC2(CC1)C[C@H](O)c1ccccc1O2
InChIInChI=1S/C18H26O2/c1-2-6-14-7-5-11-18(12-10-14)13-16(19)15-8-3-4-9-17(15)20-18/h3-4,8-9,14,16,19H,2,5-7,10-13H2,1H3/t14?,16-,18?/m0/s1
InChIKeyBBMRRRQYXOHGJQ-HQVVEAJESA-N
MW274.40 g/mol
LogP4.62
Rot. Bonds2

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

(4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (PubChem CID 104949941) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.

Molecular Properties

Compound Name(4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
PubChem CID104949941
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESCCCC1CCCC2(CC1)C[C@H](O)c1ccccc1O2
InChIInChI=1S/C18H26O2/c1-2-6-14-7-5-11-18(12-10-14)13-16(19)15-8-3-4-9-17(15)20-18/h3-4,8-9,14,16,19H,2,5-7,10-13H2,1H3/t14?,16-,18?/m0/s1
InChIKeyBBMRRRQYXOHGJQ-HQVVEAJESA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950101
(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946149
6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715550
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949961
6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 114715617
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114714975
(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450789
(4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104949919
(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946535

Frequently Asked Questions

What is the IUPAC name of (4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The IUPAC name of (4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (CID 104949941) is (4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.
What is the SMILES notation for (4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The canonical SMILES for (4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is CCCC1CCCC2(CC1)C[C@H](O)c1ccccc1O2.
What is the InChIKey of (4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The InChIKey is BBMRRRQYXOHGJQ-HQVVEAJESA-N. The full InChI is InChI=1S/C18H26O2/c1-2-6-14-7-5-11-18(12-10-14)13-16(19)15-8-3-4-9-17(15)20-18/h3-4,8-9,14,16,19H,2,5-7,10-13H2,1H3/t14?,16-,18?/m0/s1.
What are the key properties of (4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
(4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol has a molecular weight of 274.40 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is sourced from PubChem (CID 104949941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).