4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol

C14H20O3 — CID 163112736

IUPAC4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol
SMILESCC1CC(O)C(O)(C(C)C)c2ccc(O)cc21
InChIInChI=1S/C14H20O3/c1-8(2)14(17)12-5-4-10(15)7-11(12)9(3)6-13(14)16/h4-5,7-9,13,15-17H,6H2,1-3H3
InChIKeyQOORYKOAWRSQGV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.10
Rot. Bonds1

About 4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol

4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol (PubChem CID 163112736) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol
PubChem CID163112736
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol
SMILESCC1CC(O)C(O)(C(C)C)c2ccc(O)cc21
InChIInChI=1S/C14H20O3/c1-8(2)14(17)12-5-4-10(15)7-11(12)9(3)6-13(14)16/h4-5,7-9,13,15-17H,6H2,1-3H3
InChIKeyQOORYKOAWRSQGV-UHFFFAOYSA-N
XLogP2.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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16,17-epi-Estriol
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(7alpha,17beta)-Estra-1,3,5(10)-triene-3,7,17-triol
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol?
The IUPAC name of 4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol (CID 163112736) is 4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol.
What is the SMILES notation for 4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol?
The canonical SMILES for 4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol is CC1CC(O)C(O)(C(C)C)c2ccc(O)cc21.
What is the InChIKey of 4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol?
The InChIKey is QOORYKOAWRSQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-8(2)14(17)12-5-4-10(15)7-11(12)9(3)6-13(14)16/h4-5,7-9,13,15-17H,6H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol?
4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol has a molecular weight of 236.31 g/mol, XLogP of 2.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol is sourced from PubChem (CID 163112736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).