(4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol

C11H14O2 — CID 15640697

IUPAC(4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)C[C@@H](O)c2ccccc2O1
InChIInChI=1S/C11H14O2/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11/h3-6,9,12H,7H2,1-2H3/t9-/m1/s1
InChIKeyCOJJXYXOKBNPCL-SECBINFHSA-N
MW178.23 g/mol
LogP2.28
Rot. Bonds

About (4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol

(4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 15640697) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID15640697
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)C[C@@H](O)c2ccccc2O1
InChIInChI=1S/C11H14O2/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11/h3-6,9,12H,7H2,1-2H3/t9-/m1/s1
InChIKeyCOJJXYXOKBNPCL-SECBINFHSA-N
XLogP2.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Equol
CID 91469
Mephenesin
CID 4059
Tocotrienol
CID 9929901
4',7-Dihydroxy-3,4-dihydroisoflavone
CID 382975
Xanthydrol
CID 72861
Deoxy-HU210
CID 9799540
11-Hydroxytetrahydrocannabinol
CID 644022
4-(4'-Hydroxyphenyl)-2,2,4-trimethylchroman
CID 97788
2-Methoxybenzyl alcohol
CID 69154
2-(3,4-Dihydro-2,4,4,7-tetramethyl-2H-1-benzopyran-2-yl)-5-methylphenol
CID 97820
Nonylphenol monoethoxylate
CID 171092
2,5-Dimethoxybenzyl alcohol
CID 118495

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 15640697) is (4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol is CC1(C)C[C@@H](O)c2ccccc2O1.
What is the InChIKey of (4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is COJJXYXOKBNPCL-SECBINFHSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11/h3-6,9,12H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol?
(4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 178.23 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 15640697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).