(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

C18H20O2 — CID 104950688

IUPAC(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCCc1ccc(C2C[C@H](O)c3cc(C)ccc3O2)cc1
InChIInChI=1S/C18H20O2/c1-3-13-5-7-14(8-6-13)18-11-16(19)15-10-12(2)4-9-17(15)20-18/h4-10,16,18-19H,3,11H2,1-2H3/t16-,18?/m0/s1
InChIKeyHZXPQJKFFAGGKV-ATNAJCNCSA-N
MW268.36 g/mol
LogP4.11
Rot. Bonds2

About (4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104950688) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104950688
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCCc1ccc(C2C[C@H](O)c3cc(C)ccc3O2)cc1
InChIInChI=1S/C18H20O2/c1-3-13-5-7-14(8-6-13)18-11-16(19)15-10-12(2)4-9-17(15)20-18/h4-10,16,18-19H,3,11H2,1-2H3/t16-,18?/m0/s1
InChIKeyHZXPQJKFFAGGKV-ATNAJCNCSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715251
2-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715244
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951076
6-methyl-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715181
(4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950334
(4S)-2-(3-chloro-4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950608
2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715253
(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950609
(4R)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950383
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950561
(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948056

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (CID 104950688) is (4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is CCc1ccc(C2C[C@H](O)c3cc(C)ccc3O2)cc1.
What is the InChIKey of (4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HZXPQJKFFAGGKV-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-13-5-7-14(8-6-13)18-11-16(19)15-10-12(2)4-9-17(15)20-18/h4-10,16,18-19H,3,11H2,1-2H3/t16-,18?/m0/s1.
What are the key properties of (4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 268.36 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104950688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).