1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol

C13H18O2 — CID 142958828

IUPAC1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol
SMILESCc1cc2c(cc1O)C(C)(C)COC2C
InChIInChI=1S/C13H18O2/c1-8-5-10-9(2)15-7-13(3,4)11(10)6-12(8)14/h5-6,9,14H,7H2,1-4H3
InChIKeyMBLPWUDMJYYASW-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.07
Rot. Bonds

About 1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol

1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol (PubChem CID 142958828) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol.

Molecular Properties

Compound Name1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol
PubChem CID142958828
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol
SMILESCc1cc2c(cc1O)C(C)(C)COC2C
InChIInChI=1S/C13H18O2/c1-8-5-10-9(2)15-7-13(3,4)11(10)6-12(8)14/h5-6,9,14H,7H2,1-4H3
InChIKeyMBLPWUDMJYYASW-UHFFFAOYSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S,3R,4S,5S,6R)-2-[[(1S,2S,4S)-2,7-dihydroxy-1,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-naphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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(5R,8S)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol?
The IUPAC name of 1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol (CID 142958828) is 1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol.
What is the SMILES notation for 1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol?
The canonical SMILES for 1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol is Cc1cc2c(cc1O)C(C)(C)COC2C.
What is the InChIKey of 1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol?
The InChIKey is MBLPWUDMJYYASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-8-5-10-9(2)15-7-13(3,4)11(10)6-12(8)14/h5-6,9,14H,7H2,1-4H3.
What are the key properties of 1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol?
1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol has a molecular weight of 206.28 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4,7-tetramethyl-1,3-dihydroisochromen-6-ol is sourced from PubChem (CID 142958828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).