[(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol

C15H18O4 — CID 57332897

IUPAC[(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol
SMILESCOc1cccc2c1O[C@]1(CO)CC=CC[C@]21CO
InChIInChI=1S/C15H18O4/c1-18-12-6-4-5-11-13(12)19-15(10-17)8-3-2-7-14(11,15)9-16/h2-6,16-17H,7-10H2,1H3/t14-,15-/m0/s1
InChIKeyYDNOKJKXVHTQPD-GJZGRUSLSA-N
MW262.31 g/mol
LogP1.40
Rot. Bonds3

About [(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol

[(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol (PubChem CID 57332897) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is [(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol.

Molecular Properties

Compound Name[(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol
PubChem CID57332897
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name[(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol
SMILESCOc1cccc2c1O[C@]1(CO)CC=CC[C@]21CO
InChIInChI=1S/C15H18O4/c1-18-12-6-4-5-11-13(12)19-15(10-17)8-3-2-7-14(11,15)9-16/h2-6,16-17H,7-10H2,1H3/t14-,15-/m0/s1
InChIKeyYDNOKJKXVHTQPD-GJZGRUSLSA-N
XLogP1.40
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(5aR,9aR)-4-methoxy-5a-[[(2R)-2-methoxy-2-phenylacetyl]oxymethyl]-6,9-dihydrodibenzofuran-9a-yl]methyl (2R)-2-methoxy-2-phenylacetate
CID 57332898
1-(2-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353394
[3-(hydroxymethyl)-8-methoxy-2,4-dihydrochromen-3-yl]methanol
CID 121010326
[1-(2-methoxyphenyl)cyclopentyl]methanol
CID 83687614
[2-(2-methoxyphenyl)-2-methylcyclopropyl]methanol
CID 81358735
4-ethyl-8-methoxy-2,3-dihydrochromen-4-amine
CID 82194434
[2-cyclopropyl-2-(2-methoxyphenyl)cyclopropyl]methanol
CID 105472708
7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride
CID 126844423
8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine
CID 70446962
2-[5-(2-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 82091686
1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000873
N-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-1-phenylmethanimine
CID 15998000

Frequently Asked Questions

What is the IUPAC name of [(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol?
The IUPAC name of [(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol (CID 57332897) is [(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol.
What is the SMILES notation for [(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol?
The canonical SMILES for [(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol is COc1cccc2c1O[C@]1(CO)CC=CC[C@]21CO.
What is the InChIKey of [(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol?
The InChIKey is YDNOKJKXVHTQPD-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H18O4/c1-18-12-6-4-5-11-13(12)19-15(10-17)8-3-2-7-14(11,15)9-16/h2-6,16-17H,7-10H2,1H3/t14-,15-/m0/s1.
What are the key properties of [(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol?
[(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol has a molecular weight of 262.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5aR,9aR)-5a-(hydroxymethyl)-4-methoxy-6,9-dihydrodibenzofuran-9a-yl]methanol is sourced from PubChem (CID 57332897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).