1-tert-butyl-2-phenylmethoxybenzene;formaldehyde

C18H22O2 — CID 174659745

IUPAC1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
SMILESC=O.CC(C)(C)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H20O.CH2O/c1-17(2,3)15-11-7-8-12-16(15)18-13-14-9-5-4-6-10-14;1-2/h4-12H,13H2,1-3H3;1H2
InChIKeyQNEJSUMMYNWXDX-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.38
Rot. Bonds3

About 1-tert-butyl-2-phenylmethoxybenzene;formaldehyde

1-tert-butyl-2-phenylmethoxybenzene;formaldehyde (PubChem CID 174659745) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-tert-butyl-2-phenylmethoxybenzene;formaldehyde.

Molecular Properties

Compound Name1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
PubChem CID174659745
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
SMILESC=O.CC(C)(C)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H20O.CH2O/c1-17(2,3)15-11-7-8-12-16(15)18-13-14-9-5-4-6-10-14;1-2/h4-12H,13H2,1-3H3;1H2
InChIKeyQNEJSUMMYNWXDX-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
CID 19165261
1-[4-[(2-tert-butylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63496953
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
4-bromo-1-tert-butyl-2-phenylmethoxybenzene
CID 90310776
ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate
CID 5027980
2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene
CID 126677080
1-tert-butyl-2-prop-2-enoxybenzene
CID 637356
1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol
CID 132965988
2-ethyl-2-(2-phenylmethoxyphenyl)butanamide
CID 66688579
4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
lithium 2-(2-tert-butylphenoxy)acetate
CID 19205698

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-phenylmethoxybenzene;formaldehyde?
The IUPAC name of 1-tert-butyl-2-phenylmethoxybenzene;formaldehyde (CID 174659745) is 1-tert-butyl-2-phenylmethoxybenzene;formaldehyde.
What is the SMILES notation for 1-tert-butyl-2-phenylmethoxybenzene;formaldehyde?
The canonical SMILES for 1-tert-butyl-2-phenylmethoxybenzene;formaldehyde is C=O.CC(C)(C)c1ccccc1OCc1ccccc1.
What is the InChIKey of 1-tert-butyl-2-phenylmethoxybenzene;formaldehyde?
The InChIKey is QNEJSUMMYNWXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O.CH2O/c1-17(2,3)15-11-7-8-12-16(15)18-13-14-9-5-4-6-10-14;1-2/h4-12H,13H2,1-3H3;1H2.
What are the key properties of 1-tert-butyl-2-phenylmethoxybenzene;formaldehyde?
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde has a molecular weight of 270.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-phenylmethoxybenzene;formaldehyde is sourced from PubChem (CID 174659745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).