4-methyl-1H-isochromen-1-ol

C10H10O2 — CID 174559423

IUPAC4-methyl-1H-isochromen-1-ol
SMILESCC1=COC(O)c2ccccc21
InChIInChI=1S/C10H10O2/c1-7-6-12-10(11)9-5-3-2-4-8(7)9/h2-6,10-11H,1H3
InChIKeyMFYXXNLFSJZLGC-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.07
Rot. Bonds

About 4-methyl-1H-isochromen-1-ol

4-methyl-1H-isochromen-1-ol (PubChem CID 174559423) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-methyl-1H-isochromen-1-ol.

Molecular Properties

Compound Name4-methyl-1H-isochromen-1-ol
PubChem CID174559423
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name4-methyl-1H-isochromen-1-ol
SMILESCC1=COC(O)c2ccccc21
InChIInChI=1S/C10H10O2/c1-7-6-12-10(11)9-5-3-2-4-8(7)9/h2-6,10-11H,1H3
InChIKeyMFYXXNLFSJZLGC-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbenzyl alcohol
CID 6994
Benzyl hemiformal
CID 84520
(2-Ethylphenyl)methanol
CID 5225083
1-Methoxy-3,4-dihydro-1H-2-benzopyran
CID 13607859
(2-(Dimethoxymethyl)phenyl)methanol
CID 343232
1,3-Dioxan-5-ol, 2-(methylphenyl)-(mixed isomers)
CID 3033606
4-(Hydroxymethyl)benzaldehyde dimethyl acetal
CID 3391102
(2-Propylphenyl)methanol
CID 12841288
4-butyl-3-fluoro-1H-isochromene
CID 11310262
1-(Dimethoxymethyl)-2-methylbenzene
CID 13294514
1,2-Bis(dimethoxymethyl)benzene
CID 13587680
1-(Diethoxymethyl)-2-methylbenzene
CID 221907

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-isochromen-1-ol?
The IUPAC name of 4-methyl-1H-isochromen-1-ol (CID 174559423) is 4-methyl-1H-isochromen-1-ol.
What is the SMILES notation for 4-methyl-1H-isochromen-1-ol?
The canonical SMILES for 4-methyl-1H-isochromen-1-ol is CC1=COC(O)c2ccccc21.
What is the InChIKey of 4-methyl-1H-isochromen-1-ol?
The InChIKey is MFYXXNLFSJZLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-7-6-12-10(11)9-5-3-2-4-8(7)9/h2-6,10-11H,1H3.
What are the key properties of 4-methyl-1H-isochromen-1-ol?
4-methyl-1H-isochromen-1-ol has a molecular weight of 162.19 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-isochromen-1-ol is sourced from PubChem (CID 174559423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).