(5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol

C12H16O2 — CID 57113075

IUPAC(5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol
SMILESCC1=CC(C)(C)OC2=C1[C@H](O)CC=C2
InChIInChI=1S/C12H16O2/c1-8-7-12(2,3)14-10-6-4-5-9(13)11(8)10/h4,6-7,9,13H,5H2,1-3H3/t9-/m1/s1
InChIKeyUKPANZWODBFURV-SECBINFHSA-N
MW192.26 g/mol
LogP2.32
Rot. Bonds

About (5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol

(5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol (PubChem CID 57113075) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol.

Molecular Properties

Compound Name(5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol
PubChem CID57113075
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol
SMILESCC1=CC(C)(C)OC2=C1[C@H](O)CC=C2
InChIInChI=1S/C12H16O2/c1-8-7-12(2,3)14-10-6-4-5-9(13)11(8)10/h4,6-7,9,13H,5H2,1-3H3/t9-/m1/s1
InChIKeyUKPANZWODBFURV-SECBINFHSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-8-fluoro-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene
CID 57051616
(5R)-8-fluoro-2,2,4-trimethyl-5,6-dihydrochromen-5-ol
CID 57230984
2,2-Dimethyl-5,6,7,8-tetrahydrochromen-5-ol
CID 134929876
4-Methoxy-6-methylidenecyclohexa-2,4-dien-1-ol
CID 21257311
3-Methoxy-5-methylcyclohexa-2,4-dien-1-ol
CID 23451440
(5R)-2,2,4-trimethyl-5-propoxy-5,6-dihydrochromene
CID 57164871
(5R)-5-methoxy-2,2,4-trimethyl-5,6-dihydrochromene
CID 57274132
1-[2-(1,4-Dioxin-2-yl)cyclohexa-1,5-dien-1-yl]prop-2-en-1-ol
CID 57454128
(E,4S)-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]hept-1-en-4-ol
CID 58700099
4-Butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol
CID 59271521
[2-(1,4-Dioxin-2-yl)cyclohexa-1,5-dien-1-yl]methanol
CID 67023127
7-Hydroxy-5-methyl-4-propyl-6,7-dihydrochromene-2-thione
CID 70866466

Frequently Asked Questions

What is the IUPAC name of (5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol?
The IUPAC name of (5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol (CID 57113075) is (5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol.
What is the SMILES notation for (5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol?
The canonical SMILES for (5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol is CC1=CC(C)(C)OC2=C1[C@H](O)CC=C2.
What is the InChIKey of (5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol?
The InChIKey is UKPANZWODBFURV-SECBINFHSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-7-12(2,3)14-10-6-4-5-9(13)11(8)10/h4,6-7,9,13H,5H2,1-3H3/t9-/m1/s1.
What are the key properties of (5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol?
(5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol has a molecular weight of 192.26 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,4-trimethyl-5,6-dihydrochromen-5-ol is sourced from PubChem (CID 57113075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).