[4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol

C17H20O5 — CID 54073732

IUPAC[4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol
SMILESCOCOc1ccc(OC)cc1C(O)c1ccc(CO)cc1
InChIInChI=1S/C17H20O5/c1-20-11-22-16-8-7-14(21-2)9-15(16)17(19)13-5-3-12(10-18)4-6-13/h3-9,17-19H,10-11H2,1-2H3
InChIKeyMIGNEEVHYPASFY-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.25
Rot. Bonds7

About [4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol

[4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol (PubChem CID 54073732) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol
PubChem CID54073732
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name[4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol
SMILESCOCOc1ccc(OC)cc1C(O)c1ccc(CO)cc1
InChIInChI=1S/C17H20O5/c1-20-11-22-16-8-7-14(21-2)9-15(16)17(19)13-5-3-12(10-18)4-6-13/h3-9,17-19H,10-11H2,1-2H3
InChIKeyMIGNEEVHYPASFY-UHFFFAOYSA-N
XLogP2.25
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol
CID 54080745
[4-(methoxymethoxy)phenyl]methanol
CID 11607984
5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)benzaldehyde;[5-[dimethyl-[(4-methylphenyl)methoxy]silyl]-2-(methoxymethoxy)phenyl]-(4-methoxyphenyl)methanol
CID 90881949
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol;(4-methoxyphenyl)-(5-methoxy-2-phenylmethoxyphenyl)methanol
CID 159306157
(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 63895776
2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene
CID 118066872
(4-methoxyphenyl)methanol
CID 7738
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
(3,5-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 61100568
(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol
CID 61087943
1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol
CID 61099714

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol?
The IUPAC name of [4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol (CID 54073732) is [4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol?
The canonical SMILES for [4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol is COCOc1ccc(OC)cc1C(O)c1ccc(CO)cc1.
What is the InChIKey of [4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol?
The InChIKey is MIGNEEVHYPASFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5/c1-20-11-22-16-8-7-14(21-2)9-15(16)17(19)13-5-3-12(10-18)4-6-13/h3-9,17-19H,10-11H2,1-2H3.
What are the key properties of [4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol?
[4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol has a molecular weight of 304.34 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol is sourced from PubChem (CID 54073732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).