(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol

C13H16O2 — CID 104949988

IUPAC(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol
SMILESCC1(C2CC2)C[C@H](O)c2ccccc2O1
InChIInChI=1S/C13H16O2/c1-13(9-6-7-9)8-11(14)10-4-2-3-5-12(10)15-13/h2-5,9,11,14H,6-8H2,1H3/t11-,13?/m0/s1
InChIKeyMHTCZFNOQBSJDF-AMGKYWFPSA-N
MW204.27 g/mol
LogP2.67
Rot. Bonds1

About (4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol

(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol (PubChem CID 104949988) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol
PubChem CID104949988
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol
SMILESCC1(C2CC2)C[C@H](O)c2ccccc2O1
InChIInChI=1S/C13H16O2/c1-13(9-6-7-9)8-11(14)10-4-2-3-5-12(10)15-13/h2-5,9,11,14H,6-8H2,1H3/t11-,13?/m0/s1
InChIKeyMHTCZFNOQBSJDF-AMGKYWFPSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
CID 104950033
2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
CID 114714855
(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol
CID 104948836
(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104950045
2,2-diphenyl-3,4-dihydrochromen-4-ol
CID 56694912
(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114714861
(4R)-2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104950040
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949961
(4R)-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-ol
CID 104950010
(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104949814

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol (CID 104949988) is (4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol is CC1(C2CC2)C[C@H](O)c2ccccc2O1.
What is the InChIKey of (4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol?
The InChIKey is MHTCZFNOQBSJDF-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(9-6-7-9)8-11(14)10-4-2-3-5-12(10)15-13/h2-5,9,11,14H,6-8H2,1H3/t11-,13?/m0/s1.
What are the key properties of (4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol?
(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol has a molecular weight of 204.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104949988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).