[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol

C13H18O3 — CID 62017661

IUPAC[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1COCC1CC1
InChIInChI=1S/C13H18O3/c1-15-13-5-4-11(7-14)6-12(13)9-16-8-10-2-3-10/h4-6,10,14H,2-3,7-9H2,1H3
InChIKeyWQGNZUXFDIHYHM-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.11
Rot. Bonds6

About [3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol

[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol (PubChem CID 62017661) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol
PubChem CID62017661
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1COCC1CC1
InChIInChI=1S/C13H18O3/c1-15-13-5-4-11(7-14)6-12(13)9-16-8-10-2-3-10/h4-6,10,14H,2-3,7-9H2,1H3
InChIKeyWQGNZUXFDIHYHM-UHFFFAOYSA-N
XLogP2.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol
CID 106204024
[3-(cycloheptyloxymethyl)-4-methoxyphenyl]methanol
CID 62018226
[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol
CID 62019338
[3-(cyclohexylmethoxymethyl)-4-methoxyphenyl]boronic acid
CID 62382655
[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol
CID 62019697
4-[(2-methoxy-5-methylphenyl)methoxymethyl]piperidine
CID 55060565
3-[5-(cyclopropylmethoxymethyl)-2-methoxyphenyl]prop-2-yn-1-ol
CID 54974372
4-methoxy-3-(oxan-4-ylmethoxymethyl)benzoic acid
CID 62387265
[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929795
3-[3-(cyclopentylmethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-amine
CID 66323088
[4-methoxy-3-(4-methylpentan-2-yloxymethyl)phenyl]methanol
CID 62019700
[3-[(3,5-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
CID 62785626

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol (CID 62017661) is [3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol?
The canonical SMILES for [3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol is COc1ccc(CO)cc1COCC1CC1.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol?
The InChIKey is WQGNZUXFDIHYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-15-13-5-4-11(7-14)6-12(13)9-16-8-10-2-3-10/h4-6,10,14H,2-3,7-9H2,1H3.
What are the key properties of [3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol?
[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol has a molecular weight of 222.28 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol is sourced from PubChem (CID 62017661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).