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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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).