(3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol

C15H16O3 — CID 71348739

IUPAC(3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol
SMILESCC1(C)Oc2c(ccc3ccccc23)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H16O3/c1-15(2)14(17)12(16)11-8-7-9-5-3-4-6-10(9)13(11)18-15/h3-8,12,14,16-17H,1-2H3/t12-,14+/m1/s1
InChIKeyLXVCXDIAEYQKEU-OCCSQVGLSA-N
MW244.29 g/mol
LogP2.41
Rot. Bonds

About (3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol

(3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol (PubChem CID 71348739) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol
PubChem CID71348739
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol
SMILESCC1(C)Oc2c(ccc3ccccc23)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H16O3/c1-15(2)14(17)12(16)11-8-7-9-5-3-4-6-10(9)13(11)18-15/h3-8,12,14,16-17H,1-2H3/t12-,14+/m1/s1
InChIKeyLXVCXDIAEYQKEU-OCCSQVGLSA-N
XLogP2.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol?
The IUPAC name of (3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol (CID 71348739) is (3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol.
What is the SMILES notation for (3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol?
The canonical SMILES for (3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol is CC1(C)Oc2c(ccc3ccccc23)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol?
The InChIKey is LXVCXDIAEYQKEU-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H16O3/c1-15(2)14(17)12(16)11-8-7-9-5-3-4-6-10(9)13(11)18-15/h3-8,12,14,16-17H,1-2H3/t12-,14+/m1/s1.
What are the key properties of (3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol?
(3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol has a molecular weight of 244.29 g/mol, XLogP of 2.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol is sourced from PubChem (CID 71348739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).