2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene

C27H26O4 — CID 56601628

IUPAC2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene
SMILESCOc1ccc(C(c2ccc(OC)c(OC)c2)c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C27H26O4/c1-28-23-13-11-21(16-25(23)30-3)27(22-12-14-24(29-2)26(17-22)31-4)20-10-9-18-7-5-6-8-19(18)15-20/h5-17,27H,1-4H3
InChIKeyKIOWFLPLGYKXKO-UHFFFAOYSA-N
MW414.50 g/mol
LogP6.05
Rot. Bonds7

About 2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene

2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene (PubChem CID 56601628) has the molecular formula C27H26O4 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene.

Molecular Properties

Compound Name2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene
PubChem CID56601628
Molecular FormulaC27H26O4
Molecular Weight414.50 g/mol
Exact Mass414.18
IUPAC Name2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene
SMILESCOc1ccc(C(c2ccc(OC)c(OC)c2)c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C27H26O4/c1-28-23-13-11-21(16-25(23)30-3)27(22-12-14-24(29-2)26(17-22)31-4)20-10-9-18-7-5-6-8-19(18)15-20/h5-17,27H,1-4H3
InChIKeyKIOWFLPLGYKXKO-UHFFFAOYSA-N
XLogP6.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
2-(dinaphthalen-2-ylmethyl)naphthalene;ethane;naphthalene;bis(2-(1-naphthalen-2-ylethyl)naphthalene)
CID 158656966
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]naphthalene
CID 63427689
(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 61099330
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
tribenzyl-[4-[[4-[bis(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]phenyl]-(3-methoxy-4-tribenzylsilyloxyphenyl)methyl]-2-methoxyphenoxy]silane
CID 139887815
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
1,2-dimethoxy-4-[(1R)-1,2,2,2-tetrachloroethyl]benzene
CID 6932906
4-benzhydryl-2-bromo-1-methoxybenzene
CID 12672614

Frequently Asked Questions

What is the IUPAC name of 2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene?
The IUPAC name of 2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene (CID 56601628) is 2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene.
What is the SMILES notation for 2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene?
The canonical SMILES for 2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene is COc1ccc(C(c2ccc(OC)c(OC)c2)c2ccc3ccccc3c2)cc1OC.
What is the InChIKey of 2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene?
The InChIKey is KIOWFLPLGYKXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O4/c1-28-23-13-11-21(16-25(23)30-3)27(22-12-14-24(29-2)26(17-22)31-4)20-10-9-18-7-5-6-8-19(18)15-20/h5-17,27H,1-4H3.
What are the key properties of 2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene?
2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene has a molecular weight of 414.50 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene is sourced from PubChem (CID 56601628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).