4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol

C18H20O2 — CID 1202572

IUPAC4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol
SMILESCC1(C)C[C@@](C)(c2ccc(O)cc2)Oc2ccccc21
InChIInChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)20-16-7-5-4-6-15(16)17/h4-11,19H,12H2,1-3H3/t18-/m0/s1
InChIKeyNEVGTLNXLAWUCT-SFHVURJKSA-N
MW268.36 g/mol
LogP4.37
Rot. Bonds1

About 4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol

4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol (PubChem CID 1202572) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol.

Molecular Properties

Compound Name4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol
PubChem CID1202572
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol
SMILESCC1(C)C[C@@](C)(c2ccc(O)cc2)Oc2ccccc21
InChIInChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)20-16-7-5-4-6-15(16)17/h4-11,19H,12H2,1-3H3/t18-/m0/s1
InChIKeyNEVGTLNXLAWUCT-SFHVURJKSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-2,4,4-trimethyl-3H-chromen-8-ol
CID 59266852
2-(2-ethylphenyl)-2,4,4-trimethyl-3H-chromene
CID 143140555
4-(7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol
CID 162010802
4-(2,4,4-trimethyl-3H-chromen-2-yl)cyclohexa-2,4-dien-1-one
CID 23614951
2,2-diethyl-4,4-dimethyl-3H-chromene
CID 146403608
4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol
CID 123357468
4-[(4R)-2,2,4,6-tetramethyl-3H-chromen-4-yl]phenol
CID 139203808
2-(2-methyl-3,4-dihydrochromen-2-yl)phenol
CID 134834710
4-methyl-2-(2,4,4,6-tetramethyl-3H-chromen-2-yl)phenol
CID 10891786
[4-(4-hydroxyphenyl)-2,3-dihydrochromen-4-yl]-trimethylazanium
CID 174495818
4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol
CID 161100270
4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol
CID 145273415

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol?
The IUPAC name of 4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol (CID 1202572) is 4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol.
What is the SMILES notation for 4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol?
The canonical SMILES for 4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol is CC1(C)C[C@@](C)(c2ccc(O)cc2)Oc2ccccc21.
What is the InChIKey of 4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol?
The InChIKey is NEVGTLNXLAWUCT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)20-16-7-5-4-6-15(16)17/h4-11,19H,12H2,1-3H3/t18-/m0/s1.
What are the key properties of 4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol?
4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol has a molecular weight of 268.36 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol is sourced from PubChem (CID 1202572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).