8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol

C21H26O7 — CID 162927882

IUPAC8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc(C2c3cc(O)c(OC)c(OC)c3CC(CO)C2CO)ccc1O
InChIInChI=1S/C21H26O7/c1-26-18-7-11(4-5-16(18)24)19-13-8-17(25)21(28-3)20(27-2)14(13)6-12(9-22)15(19)10-23/h4-5,7-8,12,15,19,22-25H,6,9-10H2,1-3H3
InChIKeyOBUSAZWHMNFNLX-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.03
Rot. Bonds6

About 8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol

8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 162927882) has the molecular formula C21H26O7 and a molecular weight of 390.43 g/mol. Its IUPAC name is 8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID162927882
Molecular FormulaC21H26O7
Molecular Weight390.43 g/mol
Exact Mass390.17
IUPAC Name8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc(C2c3cc(O)c(OC)c(OC)c3CC(CO)C2CO)ccc1O
InChIInChI=1S/C21H26O7/c1-26-18-7-11(4-5-16(18)24)19-13-8-17(25)21(28-3)20(27-2)14(13)6-12(9-22)15(19)10-23/h4-5,7-8,12,15,19,22-25H,6,9-10H2,1-3H3
InChIKeyOBUSAZWHMNFNLX-UHFFFAOYSA-N
XLogP2.03
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol (CID 162927882) is 8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol is COc1cc(C2c3cc(O)c(OC)c(OC)c3CC(CO)C2CO)ccc1O.
What is the InChIKey of 8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is OBUSAZWHMNFNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O7/c1-26-18-7-11(4-5-16(18)24)19-13-8-17(25)21(28-3)20(27-2)14(13)6-12(9-22)15(19)10-23/h4-5,7-8,12,15,19,22-25H,6,9-10H2,1-3H3.
What are the key properties of 8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol?
8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 390.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 162927882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).