[4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol

C20H24O4 — CID 54080745

IUPAC[4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol
SMILESCOCOc1cc2c(cc1C(O)c1ccc(CO)cc1)CCCC2
InChIInChI=1S/C20H24O4/c1-23-13-24-19-11-17-5-3-2-4-16(17)10-18(19)20(22)15-8-6-14(12-21)7-9-15/h6-11,20-22H,2-5,12-13H2,1H3
InChIKeyMMXXHNYQXPSRRM-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.12
Rot. Bonds6

About [4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol

[4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol (PubChem CID 54080745) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol
PubChem CID54080745
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name[4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol
SMILESCOCOc1cc2c(cc1C(O)c1ccc(CO)cc1)CCCC2
InChIInChI=1S/C20H24O4/c1-23-13-24-19-11-17-5-3-2-4-16(17)10-18(19)20(22)15-8-6-14(12-21)7-9-15/h6-11,20-22H,2-5,12-13H2,1H3
InChIKeyMMXXHNYQXPSRRM-UHFFFAOYSA-N
XLogP3.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-[5-methoxy-2-(methoxymethoxy)phenyl]methanol
CID 54073732
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
[4-(methoxymethoxy)phenyl]methanol
CID 11607984
[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol
CID 14096565
(1R)-1-[2-(methoxymethoxy)-4-propylphenyl]propan-1-ol
CID 129384363
(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 66514299
5-(methoxymethoxy)-6-nitroso-2,3-dihydro-1H-indene
CID 88911089
3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol
CID 114743509
(1S)-N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 97088707
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 71912172
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
(2,3-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 61100684

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol (CID 54080745) is [4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol is COCOc1cc2c(cc1C(O)c1ccc(CO)cc1)CCCC2.
What is the InChIKey of [4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol?
The InChIKey is MMXXHNYQXPSRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-23-13-24-19-11-17-5-3-2-4-16(17)10-18(19)20(22)15-8-6-14(12-21)7-9-15/h6-11,20-22H,2-5,12-13H2,1H3.
What are the key properties of [4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol?
[4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol has a molecular weight of 328.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl]-[3-(methoxymethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]methanol is sourced from PubChem (CID 54080745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).