2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde

C23H28O2 — CID 18177880

IUPAC2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde
SMILESCC1(C)CCC(C)(C)c2cc(C(C=O)OCc3ccccc3)ccc21
InChIInChI=1S/C23H28O2/c1-22(2)12-13-23(3,4)20-14-18(10-11-19(20)22)21(15-24)25-16-17-8-6-5-7-9-17/h5-11,14-15,21H,12-13,16H2,1-4H3
InChIKeyBGMUDXYGPCAYMM-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.49
Rot. Bonds5

About 2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde

2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde (PubChem CID 18177880) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde
PubChem CID18177880
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde
SMILESCC1(C)CCC(C)(C)c2cc(C(C=O)OCc3ccccc3)ccc21
InChIInChI=1S/C23H28O2/c1-22(2)12-13-23(3,4)20-14-18(10-11-19(20)22)21(15-24)25-16-17-8-6-5-7-9-17/h5-11,14-15,21H,12-13,16H2,1-4H3
InChIKeyBGMUDXYGPCAYMM-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-phenylmethoxyacetaldehyde
CID 11117750
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate
CID 18792286
(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid
CID 11184593
6-(1-chloroethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 71633194
6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 97175249
4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
CID 116525810
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
4-[2-ethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]oxybenzoic acid
CID 10158493
benzyl 2-hydroxy-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxymethoxy]benzoate
CID 67808421
2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde
CID 10729339

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde?
The IUPAC name of 2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde (CID 18177880) is 2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde.
What is the SMILES notation for 2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde?
The canonical SMILES for 2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde is CC1(C)CCC(C)(C)c2cc(C(C=O)OCc3ccccc3)ccc21.
What is the InChIKey of 2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde?
The InChIKey is BGMUDXYGPCAYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-22(2)12-13-23(3,4)20-14-18(10-11-19(20)22)21(15-24)25-16-17-8-6-5-7-9-17/h5-11,14-15,21H,12-13,16H2,1-4H3.
What are the key properties of 2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde?
2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde has a molecular weight of 336.48 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetaldehyde is sourced from PubChem (CID 18177880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).