(2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol

C24H28O2 — CID 14060735

IUPAC(2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol
SMILESCC(C)=CCC[C@@]1(C)C=Cc2c(CCc3ccccc3)cc(O)cc2O1
InChIInChI=1S/C24H28O2/c1-18(2)8-7-14-24(3)15-13-22-20(16-21(25)17-23(22)26-24)12-11-19-9-5-4-6-10-19/h4-6,8-10,13,15-17,25H,7,11-12,14H2,1-3H3/t24-/m0/s1
InChIKeyBJWKGFBYJPLIQS-DEOSSOPVSA-N
MW348.49 g/mol
LogP6.09
Rot. Bonds6

About (2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol

(2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol (PubChem CID 14060735) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol.

Molecular Properties

Compound Name(2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol
PubChem CID14060735
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name(2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol
SMILESCC(C)=CCC[C@@]1(C)C=Cc2c(CCc3ccccc3)cc(O)cc2O1
InChIInChI=1S/C24H28O2/c1-18(2)8-7-14-24(3)15-13-22-20(16-21(25)17-23(22)26-24)12-11-19-9-5-4-6-10-19/h4-6,8-10,13,15-17,25H,7,11-12,14H2,1-3H3/t24-/m0/s1
InChIKeyBJWKGFBYJPLIQS-DEOSSOPVSA-N
XLogP6.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol?
The IUPAC name of (2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol (CID 14060735) is (2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol.
What is the SMILES notation for (2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol?
The canonical SMILES for (2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol is CC(C)=CCC[C@@]1(C)C=Cc2c(CCc3ccccc3)cc(O)cc2O1.
What is the InChIKey of (2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol?
The InChIKey is BJWKGFBYJPLIQS-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28O2/c1-18(2)8-7-14-24(3)15-13-22-20(16-21(25)17-23(22)26-24)12-11-19-9-5-4-6-10-19/h4-6,8-10,13,15-17,25H,7,11-12,14H2,1-3H3/t24-/m0/s1.
What are the key properties of (2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol?
(2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol has a molecular weight of 348.49 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-(4-methylpent-3-enyl)-5-(2-phenylethyl)chromen-7-ol is sourced from PubChem (CID 14060735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).