[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol

C12H16O3 — CID 123665502

IUPAC[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol
SMILESCc1ccc(C(O)O)cc1OCC1CC1
InChIInChI=1S/C12H16O3/c1-8-2-5-10(12(13)14)6-11(8)15-7-9-3-4-9/h2,5-6,9,12-14H,3-4,7H2,1H3
InChIKeyDTYQYFJNORFYCO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.77
Rot. Bonds4

About [3-(cyclopropylmethoxy)-4-methylphenyl]methanediol

[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol (PubChem CID 123665502) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)-4-methylphenyl]methanediol.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol
PubChem CID123665502
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol
SMILESCc1ccc(C(O)O)cc1OCC1CC1
InChIInChI=1S/C12H16O3/c1-8-2-5-10(12(13)14)6-11(8)15-7-9-3-4-9/h2,5-6,9,12-14H,3-4,7H2,1H3
InChIKeyDTYQYFJNORFYCO-UHFFFAOYSA-N
XLogP1.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene
CID 134553642
2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81004753
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
CID 71084107
(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86321098
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol
CID 70910103
1-[3-(cyclopropylmethoxy)-4-methoxyphenyl]but-2-yn-1-ol
CID 155366125

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)-4-methylphenyl]methanediol?
The IUPAC name of [3-(cyclopropylmethoxy)-4-methylphenyl]methanediol (CID 123665502) is [3-(cyclopropylmethoxy)-4-methylphenyl]methanediol.
What is the SMILES notation for [3-(cyclopropylmethoxy)-4-methylphenyl]methanediol?
The canonical SMILES for [3-(cyclopropylmethoxy)-4-methylphenyl]methanediol is Cc1ccc(C(O)O)cc1OCC1CC1.
What is the InChIKey of [3-(cyclopropylmethoxy)-4-methylphenyl]methanediol?
The InChIKey is DTYQYFJNORFYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-2-5-10(12(13)14)6-11(8)15-7-9-3-4-9/h2,5-6,9,12-14H,3-4,7H2,1H3.
What are the key properties of [3-(cyclopropylmethoxy)-4-methylphenyl]methanediol?
[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol has a molecular weight of 208.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)-4-methylphenyl]methanediol is sourced from PubChem (CID 123665502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).