2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol

C31H30O4 — CID 19593640

IUPAC2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C2CCc3c(O)cccc3C2O)cc1
InChIInChI=1S/C31H30O4/c1-34-24-15-11-22(12-16-24)31(21-7-4-3-5-8-21,23-13-17-25(35-2)18-14-23)28-20-19-26-27(30(28)33)9-6-10-29(26)32/h3-18,28,30,32-33H,19-20H2,1-2H3
InChIKeyOUQZTYVRGMKSGC-UHFFFAOYSA-N
MW466.58 g/mol
LogP6.04
Rot. Bonds6

About 2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol

2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol (PubChem CID 19593640) has the molecular formula C31H30O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol.

Molecular Properties

Compound Name2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol
PubChem CID19593640
Molecular FormulaC31H30O4
Molecular Weight466.58 g/mol
Exact Mass466.21
IUPAC Name2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C2CCc3c(O)cccc3C2O)cc1
InChIInChI=1S/C31H30O4/c1-34-24-15-11-22(12-16-24)31(21-7-4-3-5-8-21,23-13-17-25(35-2)18-14-23)28-20-19-26-27(30(28)33)9-6-10-29(26)32/h3-18,28,30,32-33H,19-20H2,1-2H3
InChIKeyOUQZTYVRGMKSGC-UHFFFAOYSA-N
XLogP6.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 71260606
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol
CID 171805579
6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol
CID 90975128
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 86949745
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
9H-fluoren-9-ylmethyl (1S,2S,5S,6S)-2-[bis(4-methoxyphenyl)-phenylmethoxy]-6-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 100974341
(3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 176862335
CID 11494152
CID 11494152

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol?
The IUPAC name of 2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol (CID 19593640) is 2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol.
What is the SMILES notation for 2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol?
The canonical SMILES for 2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol is COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C2CCc3c(O)cccc3C2O)cc1.
What is the InChIKey of 2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol?
The InChIKey is OUQZTYVRGMKSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O4/c1-34-24-15-11-22(12-16-24)31(21-7-4-3-5-8-21,23-13-17-25(35-2)18-14-23)28-20-19-26-27(30(28)33)9-6-10-29(26)32/h3-18,28,30,32-33H,19-20H2,1-2H3.
What are the key properties of 2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol?
2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol has a molecular weight of 466.58 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methoxyphenyl)-phenylmethyl]-1,2,3,4-tetrahydronaphthalene-1,5-diol is sourced from PubChem (CID 19593640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).