(4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol

C19H28O2 — CID 104950101

IUPAC(4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESCC(C)(C)C1CCCC2(CC1)C[C@@H](O)c1ccccc1O2
InChIInChI=1S/C19H28O2/c1-18(2,3)14-7-6-11-19(12-10-14)13-16(20)15-8-4-5-9-17(15)21-19/h4-5,8-9,14,16,20H,6-7,10-13H2,1-3H3/t14?,16-,19?/m1/s1
InChIKeyDMBKERIBVIITAO-NLGTXKQRSA-N
MW288.43 g/mol
LogP4.87
Rot. Bonds

About (4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol

(4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (PubChem CID 104950101) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.

Molecular Properties

Compound Name(4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
PubChem CID104950101
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
SMILESCC(C)(C)C1CCCC2(CC1)C[C@@H](O)c1ccccc1O2
InChIInChI=1S/C19H28O2/c1-18(2,3)14-7-6-11-19(12-10-14)13-16(20)15-8-4-5-9-17(15)21-19/h4-5,8-9,14,16,20H,6-7,10-13H2,1-3H3/t14?,16-,19?/m1/s1
InChIKeyDMBKERIBVIITAO-NLGTXKQRSA-N
XLogP4.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949961
(4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949941
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450789
CID 104978954
CID 104978954
(4R)-spiro[3,4-dihydrochromene-2,3'-thiane]-4-ol
CID 104950092
1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114714975
(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996
(4R)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950407
6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715200
4'-(2-methylbutan-2-yl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709541
1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 114714851

Frequently Asked Questions

What is the IUPAC name of (4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The IUPAC name of (4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol (CID 104950101) is (4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol.
What is the SMILES notation for (4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The canonical SMILES for (4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is CC(C)(C)C1CCCC2(CC1)C[C@@H](O)c1ccccc1O2.
What is the InChIKey of (4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
The InChIKey is DMBKERIBVIITAO-NLGTXKQRSA-N. The full InChI is InChI=1S/C19H28O2/c1-18(2,3)14-7-6-11-19(12-10-14)13-16(20)15-8-4-5-9-17(15)21-19/h4-5,8-9,14,16,20H,6-7,10-13H2,1-3H3/t14?,16-,19?/m1/s1.
What are the key properties of (4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol?
(4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol has a molecular weight of 288.43 g/mol, XLogP of 4.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol is sourced from PubChem (CID 104950101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).