5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol

C13H18O3 — CID 53473720

IUPAC5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol
SMILESCc1cc(O)c(CO)c2c1OC(C)(C)CC2
InChIInChI=1S/C13H18O3/c1-8-6-11(15)10(7-14)9-4-5-13(2,3)16-12(8)9/h6,14-15H,4-5,7H2,1-3H3
InChIKeyCBWFSMQDAQQDMH-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.30
Rot. Bonds1

About 5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol

5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol (PubChem CID 53473720) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol
PubChem CID53473720
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol
SMILESCc1cc(O)c(CO)c2c1OC(C)(C)CC2
InChIInChI=1S/C13H18O3/c1-8-6-11(15)10(7-14)9-4-5-13(2,3)16-12(8)9/h6,14-15H,4-5,7H2,1-3H3
InChIKeyCBWFSMQDAQQDMH-UHFFFAOYSA-N
XLogP2.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(hydroxymethyl)-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
CID 78115557
5-(2-hydroxyethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 11622944
3-(hydroxymethyl)-4,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-ol
CID 168679698
11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione
CID 14729074
1-(7,8-dihydroxy-2,2-dimethyl-5-prop-2-enyl-3,4-dihydrochromen-6-yl)ethanone
CID 24882034
2,2,5,7-tetramethyl-8-prop-2-enyl-3,4-dihydrochromen-6-ol
CID 19877385
2,4-bis(hydroxymethyl)-3,5-dimethylphenol
CID 71367739
4-[2-[3-[(6-hydroxy-2,2,7,8-tetramethyl-3,4-dihydrochromen-5-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzene-1,2-diol
CID 46907166
2,2,5,6,7-pentamethyl-3,4-dihydrochromene
CID 58669353
2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol
CID 118325055
2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol
CID 59638979
(2S)-2,5,8-trimethyl-2-[(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 93481605

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol (CID 53473720) is 5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol is Cc1cc(O)c(CO)c2c1OC(C)(C)CC2.
What is the InChIKey of 5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol?
The InChIKey is CBWFSMQDAQQDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-8-6-11(15)10(7-14)9-4-5-13(2,3)16-12(8)9/h6,14-15H,4-5,7H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol?
5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol has a molecular weight of 222.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 53473720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).