10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol

C17H18O3 — CID 155688766

IUPAC10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol
SMILESCc1cc(O)c2c(c1)OC(C)(C)c1cccc(CO)c1-2
InChIInChI=1S/C17H18O3/c1-10-7-13(19)16-14(8-10)20-17(2,3)12-6-4-5-11(9-18)15(12)16/h4-8,18-19H,9H2,1-3H3
InChIKeyJSZXXSDRPAHEKN-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.49
Rot. Bonds1

About 10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol

10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol (PubChem CID 155688766) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol.

Molecular Properties

Compound Name10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol
PubChem CID155688766
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol
SMILESCc1cc(O)c2c(c1)OC(C)(C)c1cccc(CO)c1-2
InChIInChI=1S/C17H18O3/c1-10-7-13(19)16-14(8-10)20-17(2,3)12-6-4-5-11(9-18)15(12)16/h4-8,18-19H,9H2,1-3H3
InChIKeyJSZXXSDRPAHEKN-UHFFFAOYSA-N
XLogP3.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol
CID 155688754
2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol
CID 102409883
6,6,9-trimethylbenzo[c]chromen-1-ol
CID 21423359
ethane;6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol
CID 142318370
2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol
CID 101299108
2-(hydroxymethyl)-4-[(3-methylphenyl)diazenyl]phenol
CID 136794286
[2,3-bis(4-methylphenyl)phenyl]methanol
CID 67427826
2-fluoro-3-(hydroxymethyl)-5-methylphenol
CID 117276057
3-methyl-6H-benzo[c]chromen-1-ol
CID 102026235
[2-[dimethyl-(2,4,6-trimethylphenyl)silyl]phenyl]methanol
CID 57416884
(2R,3R)-3,5-dihydroxy-2-[4-(hydroxymethyl)phenyl]-7-methyl-2,3-dihydrochromen-4-one
CID 163633456
3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol
CID 170365368

Frequently Asked Questions

What is the IUPAC name of 10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol?
The IUPAC name of 10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol (CID 155688766) is 10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol.
What is the SMILES notation for 10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol?
The canonical SMILES for 10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol is Cc1cc(O)c2c(c1)OC(C)(C)c1cccc(CO)c1-2.
What is the InChIKey of 10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol?
The InChIKey is JSZXXSDRPAHEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-10-7-13(19)16-14(8-10)20-17(2,3)12-6-4-5-11(9-18)15(12)16/h4-8,18-19H,9H2,1-3H3.
What are the key properties of 10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol?
10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol has a molecular weight of 270.33 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(hydroxymethyl)-3,6,6-trimethylbenzo[c]chromen-1-ol is sourced from PubChem (CID 155688766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).